BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Date of publication Date in BindingDB Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID PubChem SID ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence 1 PDB ID(s) of Target Chain 1 UniProt (SwissProt) Recommended Name of Target Chain 1 UniProt (SwissProt) Entry Name of Target Chain 1 UniProt (SwissProt) Primary ID of Target Chain 1 UniProt (SwissProt) Secondary ID(s) of Target Chain 1 UniProt (SwissProt) Alternative ID(s) of Target Chain 1 UniProt (TrEMBL) Submitted Name of Target Chain 1 UniProt (TrEMBL) Entry Name of Target Chain 1 UniProt (TrEMBL) Primary ID of Target Chain 1 UniProt (TrEMBL) Secondary ID(s) of Target Chain 1 UniProt (TrEMBL) Alternative ID(s) of Target Chain 1 BindingDB Target Chain Sequence 2 PDB ID(s) of Target Chain 2 UniProt (SwissProt) Recommended Name of Target Chain 2 UniProt (SwissProt) Entry Name of Target Chain 2 UniProt (SwissProt) Primary ID of Target Chain 2 UniProt (SwissProt) Secondary ID(s) of Target Chain 2 UniProt (SwissProt) Alternative ID(s) of Target Chain 2 UniProt (TrEMBL) Submitted Name of Target Chain 2 UniProt (TrEMBL) Entry Name of Target Chain 2 UniProt (TrEMBL) Primary ID of Target Chain 2 UniProt (TrEMBL) Secondary ID(s) of Target Chain 2 UniProt (TrEMBL) Alternative ID(s) of Target Chain 2 BindingDB Target Chain Sequence 3 PDB ID(s) of Target Chain 3 UniProt (SwissProt) Recommended Name of Target Chain 3 UniProt (SwissProt) Entry Name of Target Chain 3 UniProt (SwissProt) Primary ID of Target Chain 3 UniProt (SwissProt) Secondary ID(s) of Target Chain 3 UniProt (SwissProt) Alternative ID(s) of Target Chain 3 UniProt (TrEMBL) Submitted Name of Target Chain 3 UniProt (TrEMBL) Entry Name of Target Chain 3 UniProt (TrEMBL) Primary ID of Target Chain 3 UniProt (TrEMBL) Secondary ID(s) of Target Chain 3 UniProt (TrEMBL) Alternative ID(s) of Target Chain 3 BindingDB Target Chain Sequence 4 PDB ID(s) of Target Chain 4 UniProt (SwissProt) Recommended Name of Target Chain 4 UniProt (SwissProt) Entry Name of Target Chain 4 UniProt (SwissProt) Primary ID of Target Chain 4 UniProt (SwissProt) Secondary ID(s) of Target Chain 4 UniProt (SwissProt) Alternative ID(s) of Target Chain 4 UniProt (TrEMBL) Submitted Name of Target Chain 4 UniProt (TrEMBL) Entry Name of Target Chain 4 UniProt (TrEMBL) Primary ID of Target Chain 4 UniProt (TrEMBL) Secondary ID(s) of Target Chain 4 UniProt (TrEMBL) Alternative ID(s) of Target Chain 4 BindingDB Target Chain Sequence 5 PDB ID(s) of Target Chain 5 UniProt (SwissProt) Recommended Name of Target Chain 5 UniProt (SwissProt) Entry Name of Target Chain 5 UniProt (SwissProt) Primary ID of Target Chain 5 UniProt (SwissProt) Secondary ID(s) of Target Chain 5 UniProt (SwissProt) Alternative ID(s) of Target Chain 5 UniProt (TrEMBL) Submitted Name of Target Chain 5 UniProt (TrEMBL) Entry Name of Target Chain 5 UniProt (TrEMBL) Primary ID of Target Chain 5 UniProt (TrEMBL) Secondary ID(s) of Target Chain 5 UniProt (TrEMBL) Alternative ID(s) of Target Chain 5 BindingDB Target Chain Sequence 6 PDB ID(s) of Target Chain 6 UniProt (SwissProt) Recommended Name of Target Chain 6 UniProt (SwissProt) Entry Name of Target Chain 6 UniProt (SwissProt) Primary ID of Target Chain 6 UniProt (SwissProt) Secondary ID(s) of Target Chain 6 UniProt (SwissProt) Alternative ID(s) of Target Chain 6 UniProt (TrEMBL) Submitted Name of Target Chain 6 UniProt (TrEMBL) Entry Name of Target Chain 6 UniProt (TrEMBL) Primary ID of Target Chain 6 UniProt (TrEMBL) Secondary ID(s) of Target Chain 6 UniProt (TrEMBL) Alternative ID(s) of Target Chain 6 BindingDB Target Chain Sequence 7 PDB ID(s) of Target Chain 7 UniProt (SwissProt) Recommended Name of Target Chain 7 UniProt (SwissProt) Entry Name of Target Chain 7 UniProt (SwissProt) Primary ID of Target Chain 7 UniProt (SwissProt) Secondary ID(s) of Target Chain 7 UniProt (SwissProt) Alternative ID(s) of Target Chain 7 UniProt (TrEMBL) Submitted Name of Target Chain 7 UniProt (TrEMBL) Entry Name of Target Chain 7 UniProt (TrEMBL) Primary ID of Target Chain 7 UniProt (TrEMBL) Secondary ID(s) of Target Chain 7 UniProt (TrEMBL) Alternative ID(s) of Target Chain 7 BindingDB Target Chain Sequence 8 PDB ID(s) of Target Chain 8 UniProt (SwissProt) Recommended Name of Target Chain 8 UniProt (SwissProt) Entry Name of Target Chain 8 UniProt (SwissProt) Primary ID of Target Chain 8 UniProt (SwissProt) Secondary ID(s) of Target Chain 8 UniProt (SwissProt) Alternative ID(s) of Target Chain 8 UniProt (TrEMBL) Submitted Name of Target Chain 8 UniProt (TrEMBL) Entry Name of Target Chain 8 UniProt (TrEMBL) Primary ID of Target Chain 8 UniProt (TrEMBL) Secondary ID(s) of Target Chain 8 UniProt (TrEMBL) Alternative ID(s) of Target Chain 8 BindingDB Target Chain Sequence 9 PDB ID(s) of Target Chain 9 UniProt (SwissProt) Recommended Name of Target Chain 9 UniProt (SwissProt) Entry Name of Target Chain 9 UniProt (SwissProt) Primary ID of Target Chain 9 UniProt (SwissProt) Secondary ID(s) of Target Chain 9 UniProt (SwissProt) Alternative ID(s) of Target Chain 9 UniProt (TrEMBL) Submitted Name of Target Chain 9 UniProt (TrEMBL) Entry Name of Target Chain 9 UniProt (TrEMBL) Primary ID of Target Chain 9 UniProt (TrEMBL) Secondary ID(s) of Target Chain 9 UniProt (TrEMBL) Alternative ID(s) of Target Chain 9 BindingDB Target Chain Sequence 10 PDB ID(s) of Target Chain 10 UniProt (SwissProt) Recommended Name of Target Chain 10 UniProt (SwissProt) Entry Name of Target Chain 10 UniProt (SwissProt) Primary ID of Target Chain 10 UniProt (SwissProt) Secondary ID(s) of Target Chain 10 UniProt (SwissProt) Alternative ID(s) of Target Chain 10 UniProt (TrEMBL) Submitted Name of Target Chain 10 UniProt (TrEMBL) Entry Name of Target Chain 10 UniProt (TrEMBL) Primary ID of Target Chain 10 UniProt (TrEMBL) Secondary ID(s) of Target Chain 10 UniProt (TrEMBL) Alternative ID(s) of Target Chain 10 BindingDB Target Chain Sequence 11 PDB ID(s) of Target Chain 11 UniProt (SwissProt) Recommended Name of Target Chain 11 UniProt (SwissProt) Entry Name of Target Chain 11 UniProt (SwissProt) Primary ID of Target Chain 11 UniProt (SwissProt) Secondary ID(s) of Target Chain 11 UniProt (SwissProt) Alternative ID(s) of Target Chain 11 UniProt (TrEMBL) Submitted Name of Target Chain 11 UniProt (TrEMBL) Entry Name of Target Chain 11 UniProt (TrEMBL) Primary ID of Target Chain 11 UniProt (TrEMBL) Secondary ID(s) of Target Chain 11 UniProt (TrEMBL) Alternative ID(s) of Target Chain 11 BindingDB Target Chain Sequence 12 PDB ID(s) of Target Chain 12 UniProt (SwissProt) Recommended Name of Target Chain 12 UniProt (SwissProt) Entry Name of Target Chain 12 UniProt (SwissProt) Primary ID of Target Chain 12 UniProt (SwissProt) Secondary ID(s) of Target Chain 12 UniProt (SwissProt) Alternative ID(s) of Target Chain 12 UniProt (TrEMBL) Submitted Name of Target Chain 12 UniProt (TrEMBL) Entry Name of Target Chain 12 UniProt (TrEMBL) Primary ID of Target Chain 12 UniProt (TrEMBL) Secondary ID(s) of Target Chain 12 UniProt (TrEMBL) Alternative ID(s) of Target Chain 12 BindingDB Target Chain Sequence 13 PDB ID(s) of Target Chain 13 UniProt (SwissProt) Recommended Name of Target Chain 13 UniProt (SwissProt) Entry Name of Target Chain 13 UniProt (SwissProt) Primary ID of Target Chain 13 UniProt (SwissProt) Secondary ID(s) of Target Chain 13 UniProt (SwissProt) Alternative ID(s) of Target Chain 13 UniProt (TrEMBL) Submitted Name of Target Chain 13 UniProt (TrEMBL) Entry Name of Target Chain 13 UniProt (TrEMBL) Primary ID of Target Chain 13 UniProt (TrEMBL) Secondary ID(s) of Target Chain 13 UniProt (TrEMBL) Alternative ID(s) of Target Chain 13 BindingDB Target Chain Sequence 14 PDB ID(s) of Target Chain 14 UniProt (SwissProt) Recommended Name of Target Chain 14 UniProt (SwissProt) Entry Name of Target Chain 14 UniProt (SwissProt) Primary ID of Target Chain 14 UniProt (SwissProt) Secondary ID(s) of Target Chain 14 UniProt (SwissProt) Alternative ID(s) of Target Chain 14 UniProt (TrEMBL) Submitted Name of Target Chain 14 UniProt (TrEMBL) Entry Name of Target Chain 14 UniProt (TrEMBL) Primary ID of Target Chain 14 UniProt (TrEMBL) Secondary ID(s) of Target Chain 14 UniProt (TrEMBL) Alternative ID(s) of Target Chain 14 BindingDB Target Chain Sequence 15 PDB ID(s) of Target Chain 15 UniProt (SwissProt) Recommended Name of Target Chain 15 UniProt (SwissProt) Entry Name of Target Chain 15 UniProt (SwissProt) Primary ID of Target Chain 15 UniProt (SwissProt) Secondary ID(s) of Target Chain 15 UniProt (SwissProt) Alternative ID(s) of Target Chain 15 UniProt (TrEMBL) Submitted Name of Target Chain 15 UniProt (TrEMBL) Entry Name of Target Chain 15 UniProt (TrEMBL) Primary ID of Target Chain 15 UniProt (TrEMBL) Secondary ID(s) of Target Chain 15 UniProt (TrEMBL) Alternative ID(s) of Target Chain 15 BindingDB Target Chain Sequence 16 PDB ID(s) of Target Chain 16 UniProt (SwissProt) Recommended Name of Target Chain 16 UniProt (SwissProt) Entry Name of Target Chain 16 UniProt (SwissProt) Primary ID of Target Chain 16 UniProt (SwissProt) Secondary ID(s) of Target Chain 16 UniProt (SwissProt) Alternative ID(s) of Target Chain 16 UniProt (TrEMBL) Submitted Name of Target Chain 16 UniProt (TrEMBL) Entry Name of Target Chain 16 UniProt (TrEMBL) Primary ID of Target Chain 16 UniProt (TrEMBL) Secondary ID(s) of Target Chain 16 UniProt (TrEMBL) Alternative ID(s) of Target Chain 16 BindingDB Target Chain Sequence 17 PDB ID(s) of Target Chain 17 UniProt (SwissProt) Recommended Name of Target Chain 17 UniProt (SwissProt) Entry Name of Target Chain 17 UniProt (SwissProt) Primary ID of Target Chain 17 UniProt (SwissProt) Secondary ID(s) of Target Chain 17 UniProt (SwissProt) Alternative ID(s) of Target Chain 17 UniProt (TrEMBL) Submitted Name of Target Chain 17 UniProt (TrEMBL) Entry Name of Target Chain 17 UniProt (TrEMBL) Primary ID of Target Chain 17 UniProt (TrEMBL) Secondary ID(s) of Target Chain 17 UniProt (TrEMBL) Alternative ID(s) of Target Chain 17 BindingDB Target Chain Sequence 18 PDB ID(s) of Target Chain 18 UniProt (SwissProt) Recommended Name of Target Chain 18 UniProt (SwissProt) Entry Name of Target Chain 18 UniProt (SwissProt) Primary ID of Target Chain 18 UniProt (SwissProt) Secondary ID(s) of Target Chain 18 UniProt (SwissProt) Alternative ID(s) of Target Chain 18 UniProt (TrEMBL) Submitted Name of Target Chain 18 UniProt (TrEMBL) Entry Name of Target Chain 18 UniProt (TrEMBL) Primary ID of Target Chain 18 UniProt (TrEMBL) Secondary ID(s) of Target Chain 18 UniProt (TrEMBL) Alternative ID(s) of Target Chain 18 BindingDB Target Chain Sequence 19 PDB ID(s) of Target Chain 19 UniProt (SwissProt) Recommended Name of Target Chain 19 UniProt (SwissProt) Entry Name of Target Chain 19 UniProt (SwissProt) Primary ID of Target Chain 19 UniProt (SwissProt) Secondary ID(s) of Target Chain 19 UniProt (SwissProt) Alternative ID(s) of Target Chain 19 UniProt (TrEMBL) Submitted Name of Target Chain 19 UniProt (TrEMBL) Entry Name of Target Chain 19 UniProt (TrEMBL) Primary ID of Target Chain 19 UniProt (TrEMBL) Secondary ID(s) of Target Chain 19 UniProt (TrEMBL) Alternative ID(s) of Target Chain 19 BindingDB Target Chain Sequence 20 PDB ID(s) of Target Chain 20 UniProt (SwissProt) Recommended Name of Target Chain 20 UniProt (SwissProt) Entry Name of Target Chain 20 UniProt (SwissProt) Primary ID of Target Chain 20 UniProt (SwissProt) Secondary ID(s) of Target Chain 20 UniProt (SwissProt) Alternative ID(s) of Target Chain 20 UniProt (TrEMBL) Submitted Name of Target Chain 20 UniProt (TrEMBL) Entry Name of Target Chain 20 UniProt (TrEMBL) Primary ID of Target Chain 20 UniProt (TrEMBL) Secondary ID(s) of Target Chain 20 UniProt (TrEMBL) Alternative ID(s) of Target Chain 20 BindingDB Target Chain Sequence 21 PDB ID(s) of Target Chain 21 UniProt (SwissProt) Recommended Name of Target Chain 21 UniProt (SwissProt) Entry Name of Target Chain 21 UniProt (SwissProt) Primary ID of Target Chain 21 UniProt (SwissProt) Secondary ID(s) of Target Chain 21 UniProt (SwissProt) Alternative ID(s) of Target Chain 21 UniProt (TrEMBL) Submitted Name of Target Chain 21 UniProt (TrEMBL) Entry Name of Target Chain 21 UniProt (TrEMBL) Primary ID of Target Chain 21 UniProt (TrEMBL) Secondary ID(s) of Target Chain 21 UniProt (TrEMBL) Alternative ID(s) of Target Chain 21 BindingDB Target Chain Sequence 22 PDB ID(s) of Target Chain 22 UniProt (SwissProt) Recommended Name of Target Chain 22 UniProt (SwissProt) Entry Name of Target Chain 22 UniProt (SwissProt) Primary ID of Target Chain 22 UniProt (SwissProt) Secondary ID(s) of Target Chain 22 UniProt (SwissProt) Alternative ID(s) of Target Chain 22 UniProt (TrEMBL) Submitted Name of Target Chain 22 UniProt (TrEMBL) Entry Name of Target Chain 22 UniProt (TrEMBL) Primary ID of Target Chain 22 UniProt (TrEMBL) Secondary ID(s) of Target Chain 22 UniProt (TrEMBL) Alternative ID(s) of Target Chain 22 BindingDB Target Chain Sequence 23 PDB ID(s) of Target Chain 23 UniProt (SwissProt) Recommended Name of Target Chain 23 UniProt (SwissProt) Entry Name of Target Chain 23 UniProt (SwissProt) Primary ID of Target Chain 23 UniProt (SwissProt) Secondary ID(s) of Target Chain 23 UniProt (SwissProt) Alternative ID(s) of Target Chain 23 UniProt (TrEMBL) Submitted Name of Target Chain 23 UniProt (TrEMBL) Entry Name of Target Chain 23 UniProt (TrEMBL) Primary ID of Target Chain 23 UniProt (TrEMBL) Secondary ID(s) of Target Chain 23 UniProt (TrEMBL) Alternative ID(s) of Target Chain 23 BindingDB Target Chain Sequence 24 PDB ID(s) of Target Chain 24 UniProt (SwissProt) Recommended Name of Target Chain 24 UniProt (SwissProt) Entry Name of Target Chain 24 UniProt (SwissProt) Primary ID of Target Chain 24 UniProt (SwissProt) Secondary ID(s) of Target Chain 24 UniProt (SwissProt) Alternative ID(s) of Target Chain 24 UniProt (TrEMBL) Submitted Name of Target Chain 24 UniProt (TrEMBL) Entry Name of Target Chain 24 UniProt (TrEMBL) Primary ID of Target Chain 24 UniProt (TrEMBL) Secondary ID(s) of Target Chain 24 UniProt (TrEMBL) Alternative ID(s) of Target Chain 24 BindingDB Target Chain Sequence 25 PDB ID(s) of Target Chain 25 UniProt (SwissProt) Recommended Name of Target Chain 25 UniProt (SwissProt) Entry Name of Target Chain 25 UniProt (SwissProt) Primary ID of Target Chain 25 UniProt (SwissProt) Secondary ID(s) of Target Chain 25 UniProt (SwissProt) Alternative ID(s) of Target Chain 25 UniProt (TrEMBL) Submitted Name of Target Chain 25 UniProt (TrEMBL) Entry Name of Target Chain 25 UniProt (TrEMBL) Primary ID of Target Chain 25 UniProt (TrEMBL) Secondary ID(s) of Target Chain 25 UniProt (TrEMBL) Alternative ID(s) of Target Chain 25 BindingDB Target Chain Sequence 26 PDB ID(s) of Target Chain 26 UniProt (SwissProt) Recommended Name of Target Chain 26 UniProt (SwissProt) Entry Name of Target Chain 26 UniProt (SwissProt) Primary ID of Target Chain 26 UniProt (SwissProt) Secondary ID(s) of Target Chain 26 UniProt (SwissProt) Alternative ID(s) of Target Chain 26 UniProt (TrEMBL) Submitted Name of Target Chain 26 UniProt (TrEMBL) Entry Name of Target Chain 26 UniProt (TrEMBL) Primary ID of Target Chain 26 UniProt (TrEMBL) Secondary ID(s) of Target Chain 26 UniProt (TrEMBL) Alternative ID(s) of Target Chain 26 BindingDB Target Chain Sequence 27 PDB ID(s) of Target Chain 27 UniProt (SwissProt) Recommended Name of Target Chain 27 UniProt (SwissProt) Entry Name of Target Chain 27 UniProt (SwissProt) Primary ID of Target Chain 27 UniProt (SwissProt) Secondary ID(s) of Target Chain 27 UniProt (SwissProt) Alternative ID(s) of Target Chain 27 UniProt (TrEMBL) Submitted Name of Target Chain 27 UniProt (TrEMBL) Entry Name of Target Chain 27 UniProt (TrEMBL) Primary ID of Target Chain 27 UniProt (TrEMBL) Secondary ID(s) of Target Chain 27 UniProt (TrEMBL) Alternative ID(s) of Target Chain 27 BindingDB Target Chain Sequence 28 PDB ID(s) of Target Chain 28 UniProt (SwissProt) Recommended Name of Target Chain 28 UniProt (SwissProt) Entry Name of Target Chain 28 UniProt (SwissProt) Primary ID of Target Chain 28 UniProt (SwissProt) Secondary ID(s) of Target Chain 28 UniProt (SwissProt) Alternative ID(s) of Target Chain 28 UniProt (TrEMBL) Submitted Name of Target Chain 28 UniProt (TrEMBL) Entry Name of Target Chain 28 UniProt (TrEMBL) Primary ID of Target Chain 28 UniProt (TrEMBL) Secondary ID(s) of Target Chain 28 UniProt (TrEMBL) Alternative ID(s) of Target Chain 28 BindingDB Target Chain Sequence 29 PDB ID(s) of Target Chain 29 UniProt (SwissProt) Recommended Name of Target Chain 29 UniProt (SwissProt) Entry Name of Target Chain 29 UniProt (SwissProt) Primary ID of Target Chain 29 UniProt (SwissProt) Secondary ID(s) of Target Chain 29 UniProt (SwissProt) Alternative ID(s) of Target Chain 29 UniProt (TrEMBL) Submitted Name of Target Chain 29 UniProt (TrEMBL) Entry Name of Target Chain 29 UniProt (TrEMBL) Primary ID of Target Chain 29 UniProt (TrEMBL) Secondary ID(s) of Target Chain 29 UniProt (TrEMBL) Alternative ID(s) of Target Chain 29 BindingDB Target Chain Sequence 30 PDB ID(s) of Target Chain 30 UniProt (SwissProt) Recommended Name of Target Chain 30 UniProt (SwissProt) Entry Name of Target Chain 30 UniProt (SwissProt) Primary ID of Target Chain 30 UniProt (SwissProt) Secondary ID(s) of Target Chain 30 UniProt (SwissProt) Alternative ID(s) of Target Chain 30 UniProt (TrEMBL) Submitted Name of Target Chain 30 UniProt (TrEMBL) Entry Name of Target Chain 30 UniProt (TrEMBL) Primary ID of Target Chain 30 UniProt (TrEMBL) Secondary ID(s) of Target Chain 30 UniProt (TrEMBL) Alternative ID(s) of Target Chain 30 BindingDB Target Chain Sequence 31 PDB ID(s) of Target Chain 31 UniProt (SwissProt) Recommended Name of Target Chain 31 UniProt (SwissProt) Entry Name of Target Chain 31 UniProt (SwissProt) Primary ID of Target Chain 31 UniProt (SwissProt) Secondary ID(s) of Target Chain 31 UniProt (SwissProt) Alternative ID(s) of Target Chain 31 UniProt (TrEMBL) Submitted Name of Target Chain 31 UniProt (TrEMBL) Entry Name of Target Chain 31 UniProt (TrEMBL) Primary ID of Target Chain 31 UniProt (TrEMBL) Secondary ID(s) of Target Chain 31 UniProt (TrEMBL) Alternative ID(s) of Target Chain 31 BindingDB Target Chain Sequence 32 PDB ID(s) of Target Chain 32 UniProt (SwissProt) Recommended Name of Target Chain 32 UniProt (SwissProt) Entry Name of Target Chain 32 UniProt (SwissProt) Primary ID of Target Chain 32 UniProt (SwissProt) Secondary ID(s) of Target Chain 32 UniProt (SwissProt) Alternative ID(s) of Target Chain 32 UniProt (TrEMBL) Submitted Name of Target Chain 32 UniProt (TrEMBL) Entry Name of Target Chain 32 UniProt (TrEMBL) Primary ID of Target Chain 32 UniProt (TrEMBL) Secondary ID(s) of Target Chain 32 UniProt (TrEMBL) Alternative ID(s) of Target Chain 32 BindingDB Target Chain Sequence 33 PDB ID(s) of Target Chain 33 UniProt (SwissProt) Recommended Name of Target Chain 33 UniProt (SwissProt) Entry Name of Target Chain 33 UniProt (SwissProt) Primary ID of Target Chain 33 UniProt (SwissProt) Secondary ID(s) of Target Chain 33 UniProt (SwissProt) Alternative ID(s) of Target Chain 33 UniProt (TrEMBL) Submitted Name of Target Chain 33 UniProt (TrEMBL) Entry Name of Target Chain 33 UniProt (TrEMBL) Primary ID of Target Chain 33 UniProt (TrEMBL) Secondary ID(s) of Target Chain 33 UniProt (TrEMBL) Alternative ID(s) of Target Chain 33 BindingDB Target Chain Sequence 34 PDB ID(s) of Target Chain 34 UniProt (SwissProt) Recommended Name of Target Chain 34 UniProt (SwissProt) Entry Name of Target Chain 34 UniProt (SwissProt) Primary ID of Target Chain 34 UniProt (SwissProt) Secondary ID(s) of Target Chain 34 UniProt (SwissProt) Alternative ID(s) of Target Chain 34 UniProt (TrEMBL) Submitted Name of Target Chain 34 UniProt (TrEMBL) Entry Name of Target Chain 34 UniProt (TrEMBL) Primary ID of Target Chain 34 UniProt (TrEMBL) Secondary ID(s) of Target Chain 34 UniProt (TrEMBL) Alternative ID(s) of Target Chain 34 BindingDB Target Chain Sequence 35 PDB ID(s) of Target Chain 35 UniProt (SwissProt) Recommended Name of Target Chain 35 UniProt (SwissProt) Entry Name of Target Chain 35 UniProt (SwissProt) Primary ID of Target Chain 35 UniProt (SwissProt) Secondary ID(s) of Target Chain 35 UniProt (SwissProt) Alternative ID(s) of Target Chain 35 UniProt (TrEMBL) Submitted Name of Target Chain 35 UniProt (TrEMBL) Entry Name of Target Chain 35 UniProt (TrEMBL) Primary ID of Target Chain 35 UniProt (TrEMBL) Secondary ID(s) of Target Chain 35 UniProt (TrEMBL) Alternative ID(s) of Target Chain 35 BindingDB Target Chain Sequence 36 PDB ID(s) of Target Chain 36 UniProt (SwissProt) Recommended Name of Target Chain 36 UniProt (SwissProt) Entry Name of Target Chain 36 UniProt (SwissProt) Primary ID of Target Chain 36 UniProt (SwissProt) Secondary ID(s) of Target Chain 36 UniProt (SwissProt) Alternative ID(s) of Target Chain 36 UniProt (TrEMBL) Submitted Name of Target Chain 36 UniProt (TrEMBL) Entry Name of Target Chain 36 UniProt (TrEMBL) Primary ID of Target Chain 36 UniProt (TrEMBL) Secondary ID(s) of Target Chain 36 UniProt (TrEMBL) Alternative ID(s) of Target Chain 36 BindingDB Target Chain Sequence 37 PDB ID(s) of Target Chain 37 UniProt (SwissProt) Recommended Name of Target Chain 37 UniProt (SwissProt) Entry Name of Target Chain 37 UniProt (SwissProt) Primary ID of Target Chain 37 UniProt (SwissProt) Secondary ID(s) of Target Chain 37 UniProt (SwissProt) Alternative ID(s) of Target Chain 37 UniProt (TrEMBL) Submitted Name of Target Chain 37 UniProt (TrEMBL) Entry Name of Target Chain 37 UniProt (TrEMBL) Primary ID of Target Chain 37 UniProt (TrEMBL) Secondary ID(s) of Target Chain 37 UniProt (TrEMBL) Alternative ID(s) of Target Chain 37 BindingDB Target Chain Sequence 38 PDB ID(s) of Target Chain 38 UniProt (SwissProt) Recommended Name of Target Chain 38 UniProt (SwissProt) Entry Name of Target Chain 38 UniProt (SwissProt) Primary ID of Target Chain 38 UniProt (SwissProt) Secondary ID(s) of Target Chain 38 UniProt (SwissProt) Alternative ID(s) of Target Chain 38 UniProt (TrEMBL) Submitted Name of Target Chain 38 UniProt (TrEMBL) Entry Name of Target Chain 38 UniProt (TrEMBL) Primary ID of Target Chain 38 UniProt (TrEMBL) Secondary ID(s) of Target Chain 38 UniProt (TrEMBL) Alternative ID(s) of Target Chain 38 BindingDB Target Chain Sequence 39 PDB ID(s) of Target Chain 39 UniProt (SwissProt) Recommended Name of Target Chain 39 UniProt (SwissProt) Entry Name of Target Chain 39 UniProt (SwissProt) Primary ID of Target Chain 39 UniProt (SwissProt) Secondary ID(s) of Target Chain 39 UniProt (SwissProt) Alternative ID(s) of Target Chain 39 UniProt (TrEMBL) Submitted Name of Target Chain 39 UniProt (TrEMBL) Entry Name of Target Chain 39 UniProt (TrEMBL) Primary ID of Target Chain 39 UniProt (TrEMBL) Secondary ID(s) of Target Chain 39 UniProt (TrEMBL) Alternative ID(s) of Target Chain 39 BindingDB Target Chain Sequence 40 PDB ID(s) of Target Chain 40 UniProt (SwissProt) Recommended Name of Target Chain 40 UniProt (SwissProt) Entry Name of Target Chain 40 UniProt (SwissProt) Primary ID of Target Chain 40 UniProt (SwissProt) Secondary ID(s) of Target Chain 40 UniProt (SwissProt) Alternative ID(s) of Target Chain 40 UniProt (TrEMBL) Submitted Name of Target Chain 40 UniProt (TrEMBL) Entry Name of Target Chain 40 UniProt (TrEMBL) Primary ID of Target Chain 40 UniProt (TrEMBL) Secondary ID(s) of Target Chain 40 UniProt (TrEMBL) Alternative ID(s) of Target Chain 40 BindingDB Target Chain Sequence 41 PDB ID(s) of Target Chain 41 UniProt (SwissProt) Recommended Name of Target Chain 41 UniProt (SwissProt) Entry Name of Target Chain 41 UniProt (SwissProt) Primary ID of Target Chain 41 UniProt (SwissProt) Secondary ID(s) of Target Chain 41 UniProt (SwissProt) Alternative ID(s) of Target Chain 41 UniProt (TrEMBL) Submitted Name of Target Chain 41 UniProt (TrEMBL) Entry Name of Target Chain 41 UniProt (TrEMBL) Primary ID of Target Chain 41 UniProt (TrEMBL) Secondary ID(s) of Target Chain 41 UniProt (TrEMBL) Alternative ID(s) of Target Chain 41 BindingDB Target Chain Sequence 42 PDB ID(s) of Target Chain 42 UniProt (SwissProt) Recommended Name of Target Chain 42 UniProt (SwissProt) Entry Name of Target Chain 42 UniProt (SwissProt) Primary ID of Target Chain 42 UniProt (SwissProt) Secondary ID(s) of Target Chain 42 UniProt (SwissProt) Alternative ID(s) of Target Chain 42 UniProt (TrEMBL) Submitted Name of Target Chain 42 UniProt (TrEMBL) Entry Name of Target Chain 42 UniProt (TrEMBL) Primary ID of Target Chain 42 UniProt (TrEMBL) Secondary ID(s) of Target Chain 42 UniProt (TrEMBL) Alternative ID(s) of Target Chain 42 BindingDB Target Chain Sequence 43 PDB ID(s) of Target Chain 43 UniProt (SwissProt) Recommended Name of Target Chain 43 UniProt (SwissProt) Entry Name of Target Chain 43 UniProt (SwissProt) Primary ID of Target Chain 43 UniProt (SwissProt) Secondary ID(s) of Target Chain 43 UniProt (SwissProt) Alternative ID(s) of Target Chain 43 UniProt (TrEMBL) Submitted Name of Target Chain 43 UniProt (TrEMBL) Entry Name of Target Chain 43 UniProt (TrEMBL) Primary ID of Target Chain 43 UniProt (TrEMBL) Secondary ID(s) of Target Chain 43 UniProt (TrEMBL) Alternative ID(s) of Target Chain 43 BindingDB Target Chain Sequence 44 PDB ID(s) of Target Chain 44 UniProt (SwissProt) Recommended Name of Target Chain 44 UniProt (SwissProt) Entry Name of Target Chain 44 UniProt (SwissProt) Primary ID of Target Chain 44 UniProt (SwissProt) Secondary ID(s) of Target Chain 44 UniProt (SwissProt) Alternative ID(s) of Target Chain 44 UniProt (TrEMBL) Submitted Name of Target Chain 44 UniProt (TrEMBL) Entry Name of Target Chain 44 UniProt (TrEMBL) Primary ID of Target Chain 44 UniProt (TrEMBL) Secondary ID(s) of Target Chain 44 UniProt (TrEMBL) Alternative ID(s) of Target Chain 44 BindingDB Target Chain Sequence 45 PDB ID(s) of Target Chain 45 UniProt (SwissProt) Recommended Name of Target Chain 45 UniProt (SwissProt) Entry Name of Target Chain 45 UniProt (SwissProt) Primary ID of Target Chain 45 UniProt (SwissProt) Secondary ID(s) of Target Chain 45 UniProt (SwissProt) Alternative ID(s) of Target Chain 45 UniProt (TrEMBL) Submitted Name of Target Chain 45 UniProt (TrEMBL) Entry Name of Target Chain 45 UniProt (TrEMBL) Primary ID of Target Chain 45 UniProt (TrEMBL) Secondary ID(s) of Target Chain 45 UniProt (TrEMBL) Alternative ID(s) of Target Chain 45 BindingDB Target Chain Sequence 46 PDB ID(s) of Target Chain 46 UniProt (SwissProt) Recommended Name of Target Chain 46 UniProt (SwissProt) Entry Name of Target Chain 46 UniProt (SwissProt) Primary ID of Target Chain 46 UniProt (SwissProt) Secondary ID(s) of Target Chain 46 UniProt (SwissProt) Alternative ID(s) of Target Chain 46 UniProt (TrEMBL) Submitted Name of Target Chain 46 UniProt (TrEMBL) Entry Name of Target Chain 46 UniProt (TrEMBL) Primary ID of Target Chain 46 UniProt (TrEMBL) Secondary ID(s) of Target Chain 46 UniProt (TrEMBL) Alternative ID(s) of Target Chain 46 BindingDB Target Chain Sequence 47 PDB ID(s) of Target Chain 47 UniProt (SwissProt) Recommended Name of Target Chain 47 UniProt (SwissProt) Entry Name of Target Chain 47 UniProt (SwissProt) Primary ID of Target Chain 47 UniProt (SwissProt) Secondary ID(s) of Target Chain 47 UniProt (SwissProt) Alternative ID(s) of Target Chain 47 UniProt (TrEMBL) Submitted Name of Target Chain 47 UniProt (TrEMBL) Entry Name of Target Chain 47 UniProt (TrEMBL) Primary ID of Target Chain 47 UniProt (TrEMBL) Secondary ID(s) of Target Chain 47 UniProt (TrEMBL) Alternative ID(s) of Target Chain 47 BindingDB Target Chain Sequence 48 PDB ID(s) of Target Chain 48 UniProt (SwissProt) Recommended Name of Target Chain 48 UniProt (SwissProt) Entry Name of Target Chain 48 UniProt (SwissProt) Primary ID of Target Chain 48 UniProt (SwissProt) Secondary ID(s) of Target Chain 48 UniProt (SwissProt) Alternative ID(s) of Target Chain 48 UniProt (TrEMBL) Submitted Name of Target Chain 48 UniProt (TrEMBL) Entry Name of Target Chain 48 UniProt (TrEMBL) Primary ID of Target Chain 48 UniProt (TrEMBL) Secondary ID(s) of Target Chain 48 UniProt (TrEMBL) Alternative ID(s) of Target Chain 48 BindingDB Target Chain Sequence 49 PDB ID(s) of Target Chain 49 UniProt (SwissProt) Recommended Name of Target Chain 49 UniProt (SwissProt) Entry Name of Target Chain 49 UniProt (SwissProt) Primary ID of Target Chain 49 UniProt (SwissProt) Secondary ID(s) of Target Chain 49 UniProt (SwissProt) Alternative ID(s) of Target Chain 49 UniProt (TrEMBL) Submitted Name of Target Chain 49 UniProt (TrEMBL) Entry Name of Target Chain 49 UniProt (TrEMBL) Primary ID of Target Chain 49 UniProt (TrEMBL) Secondary ID(s) of Target Chain 49 UniProt (TrEMBL) Alternative ID(s) of Target Chain 49 BindingDB Target Chain Sequence 50 PDB ID(s) of Target Chain 50 UniProt (SwissProt) Recommended Name of Target Chain 50 UniProt (SwissProt) Entry Name of Target Chain 50 UniProt (SwissProt) Primary ID of Target Chain 50 UniProt (SwissProt) Secondary ID(s) of Target Chain 50 UniProt (SwissProt) Alternative ID(s) of Target Chain 50 UniProt (TrEMBL) Submitted Name of Target Chain 50 UniProt (TrEMBL) Entry Name of Target Chain 50 UniProt (TrEMBL) Primary ID of Target Chain 50 UniProt (TrEMBL) Secondary ID(s) of Target Chain 50 UniProt (TrEMBL) Alternative ID(s) of Target Chain 50 1244076 COc1nc(cnc1CN[C@@H](C)[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H](C)[C@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C36H40Cl2N8O4/c1-19(25-11-13-31(47)43-25)39-17-29-35(49-3)45-27(15-41-29)23-9-5-7-21(33(23)37)22-8-6-10-24(34(22)38)28-16-42-30(36(46-28)50-4)18-40-20(2)26-12-14-32(48)44-26/h5-10,15-16,19-20,25-26,39-40H,11-14,17-18H2,1-4H3,(H,43,47)(H,44,48)/t19-,20-,25+,26+/m0/s1 PEQHTYJDSRWJFM-JZKJUIAGSA-N 452179 US10710986, Example 317::US11555029, No. 317 Programmed cell death 1 ligand/protein 1 0.220 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452179&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430421 440968163 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244077 COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C29H29Cl2N7O3/c1-40-28-21(11-32)34-14-22(37-28)19-7-3-5-17(26(19)30)18-6-4-8-20(27(18)31)23-15-35-24(29(38-23)41-2)13-33-12-16-9-10-25(39)36-16/h3-8,14-16,33H,9-13,32H2,1-2H3,(H,36,39)/t16-/m0/s1 BQMWUVLXCWRSJX-INIZCTEOSA-N 452180 US10710986, Example 318::US11555029, No. 318 Programmed cell death 1 ligand/protein 1 0.150 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452180&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430416 440968164 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244078 CNc1nc(cnc1CN(C)C[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN(C)C[C@@H]2CCC(=O)N2)c(NC)n1 InChI=1S/C36H42Cl2N10O2/c1-39-35-29(19-47(3)17-21-11-13-31(49)43-21)41-15-27(45-35)25-9-5-7-23(33(25)37)24-8-6-10-26(34(24)38)28-16-42-30(36(40-2)46-28)20-48(4)18-22-12-14-32(50)44-22/h5-10,15-16,21-22H,11-14,17-20H2,1-4H3,(H,39,45)(H,40,46)(H,43,49)(H,44,50)/t21-,22-/m0/s1 NFZHFKTZRPMYKQ-VXKWHMMOSA-N 452181 US10710986, Example 319::US11555029, No. 319 Programmed cell death 1 ligand/protein 1 3.87 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452181&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139416250 440968165 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244079 CNc1nc(cnc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@H]2CCC(=O)N2)c(NC)n1 InChI=1S/C34H38Cl2N10O2/c1-37-33-27(15-39-13-19-9-11-29(47)43-19)41-17-25(45-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-42-28(34(38-2)46-26)16-40-14-20-10-12-30(48)44-20/h3-8,17-20,39-40H,9-16H2,1-2H3,(H,37,45)(H,38,46)(H,43,47)(H,44,48)/t19-,20-/m1/s1 HRXBDWREJIQQLJ-WOJBJXKFSA-N 452182 US10710986, Example 320::US11555029, No. 320 Programmed cell death 1 ligand/protein 1 3.72 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452182&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430218 440968166 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244080 COc1nc(cnc1CN[C@@H]1CCN(C1)S(C)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2CCN(C2)S(C)(=O)=O)c(OC)n1 InChI=1S/C34H40Cl2N8O6S2/c1-49-33-29(17-37-21-11-13-43(19-21)51(3,45)46)39-15-27(41-33)25-9-5-7-23(31(25)35)24-8-6-10-26(32(24)36)28-16-40-30(34(42-28)50-2)18-38-22-12-14-44(20-22)52(4,47)48/h5-10,15-16,21-22,37-38H,11-14,17-20H2,1-4H3/t21-,22-/m1/s1 VHMHISXEBWKVIA-FGZHOGPDSA-N 452183 US10710986, Example 321::US11555029, No. 321 Programmed cell death 1 ligand/protein 1 0.460 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452183&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430213 440968167 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244081 COc1nc(cnc1CN(C)CCO)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN(C)C[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C33H37Cl2N7O4/c1-41(13-14-43)18-27-32(45-3)39-25(15-36-27)23-9-5-7-21(30(23)34)22-8-6-10-24(31(22)35)26-16-37-28(33(40-26)46-4)19-42(2)17-20-11-12-29(44)38-20/h5-10,15-16,20,43H,11-14,17-19H2,1-4H3,(H,38,44)/t20-/m0/s1 RFQIISOEEROAJK-FQEVSTJZSA-N 452184 US10710986, Example 322::US11555029, No. 322 Programmed cell death 1 ligand/protein 1 0.230 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452184&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430214 440968168 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244082 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN(C)CCO)c(OC)n1 InChI=1S/C32H35Cl2N7O4/c1-41(12-13-42)18-27-32(45-3)40-25(17-37-27)23-9-5-7-21(30(23)34)20-6-4-8-22(29(20)33)24-16-36-26(31(39-24)44-2)15-35-14-19-10-11-28(43)38-19/h4-9,16-17,19,35,42H,10-15,18H2,1-3H3,(H,38,43)/t19-/m0/s1 SGEHEZTUDIYZTQ-IBGZPJMESA-N 452185 US10710986, Example 323::US11555029, No. 323 Programmed cell death 1 ligand/protein 1 0.120 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452185&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430240 440968169 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244083 COc1nc(cnc1CNC[C@H]1NC(=O)[C@@H]2C[C@H]12)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@H]2NC(=O)[C@@H]3C[C@H]23)c(OC)n1 InChI=1S/C36H36Cl2N8O4/c1-49-35-29(13-39-11-25-21-9-23(21)33(47)43-25)41-15-27(45-35)19-7-3-5-17(31(19)37)18-6-4-8-20(32(18)38)28-16-42-30(36(46-28)50-2)14-40-12-26-22-10-24(22)34(48)44-26/h3-8,15-16,21-26,39-40H,9-14H2,1-2H3,(H,43,47)(H,44,48)/t21-,22-,23+,24+,25+,26+/m0/s1 VWPMYVDBGZWCRR-XOGRSFEHSA-N 452186 US10710986, Example 324::US11555029, No. 324 Programmed cell death 1 ligand/protein 1 0.358 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452186&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430220 440968170 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244084 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN(C[C@@H]2CCC(=O)N2)Cc2ccccc2)c(OC)n1 InChI=1S/C41H42Cl2N8O4/c1-54-40-34(19-44-18-26-14-16-36(52)47-26)45-20-32(49-40)30-12-6-10-28(38(30)42)29-11-7-13-31(39(29)43)33-21-46-35(41(50-33)55-2)24-51(22-25-8-4-3-5-9-25)23-27-15-17-37(53)48-27/h3-13,20-21,26-27,44H,14-19,22-24H2,1-2H3,(H,47,52)(H,48,53)/t26-,27-/m0/s1 WFSQNDHKRNAYLB-SVBPBHIXSA-N 452187 US10710986, Example 325::US11555029, No. 325 Programmed cell death 1 ligand/protein 1 1.86 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452187&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430215 440968171 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244085 COc1nc(cnc1CNC[C@@H]1C[C@@H](C)C(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2C[C@@H](C)C(=O)N2)c(OC)n1 InChI=1S/C36H40Cl2N8O4/c1-19-11-21(43-33(19)47)13-39-15-29-35(49-3)45-27(17-41-29)25-9-5-7-23(31(25)37)24-8-6-10-26(32(24)38)28-18-42-30(36(46-28)50-4)16-40-14-22-12-20(2)34(48)44-22/h5-10,17-22,39-40H,11-16H2,1-4H3,(H,43,47)(H,44,48)/t19-,20-,21+,22+/m1/s1 VFQZTYBBRBQNNG-CZYKHXBRSA-N 452188 US10710986, Example 326::US11555029, No. 326 Programmed cell death 1 ligand/protein 1 0.180 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452188&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430217 440968172 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244086 COc1nc(cnc1CN(C)C[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN(C)C[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C36H40Cl2N8O4/c1-45(17-21-11-13-31(47)41-21)19-29-35(49-3)43-27(15-39-29)25-9-5-7-23(33(25)37)24-8-6-10-26(34(24)38)28-16-40-30(36(44-28)50-4)20-46(2)18-22-12-14-32(48)42-22/h5-10,15-16,21-22H,11-14,17-20H2,1-4H3,(H,41,47)(H,42,48)/t21-,22-/m0/s1 IONKVPXXBHMUJF-VXKWHMMOSA-N 452189 US10710986, Example 327::US11555029, No. 327 Programmed cell death 1 ligand/protein 1 0.238 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452189&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429898 440968173 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244087 COc1nc(cnc1CN(CC1CC1)C[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN(CC2CC2)C[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C42H48Cl2N8O4/c1-55-41-35(23-51(19-25-9-10-25)21-27-13-15-37(53)47-27)45-17-33(49-41)31-7-3-5-29(39(31)43)30-6-4-8-32(40(30)44)34-18-46-36(42(50-34)56-2)24-52(20-26-11-12-26)22-28-14-16-38(54)48-28/h3-8,17-18,25-28H,9-16,19-24H2,1-2H3,(H,47,53)(H,48,54)/t27-,28-/m0/s1 IMBLWBFFQOYPDJ-NSOVKSMOSA-N 452190 US10710986, Example 328::US11555029, No. 328 Programmed cell death 1 ligand/protein 1 4.04 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452190&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429899 440968174 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244088 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN(CC2CC2)C[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C38H42Cl2N8O4/c1-51-37-31(16-41-15-23-11-13-33(49)44-23)42-17-29(46-37)27-7-3-5-25(35(27)39)26-6-4-8-28(36(26)40)30-18-43-32(38(47-30)52-2)21-48(19-22-9-10-22)20-24-12-14-34(50)45-24/h3-8,17-18,22-24,41H,9-16,19-21H2,1-2H3,(H,44,49)(H,45,50)/t23-,24-/m0/s1 PPMKHNGYYNCVDC-ZEQRLZLVSA-N 452191 US10710986, Example 329::US11555029, No. 329 Programmed cell death 1 ligand/protein 1 0.955 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452191&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429900 440968175 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244089 COc1nc(cnc1CNC[C@@H]1C[C@@H](CC(F)(F)F)C(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2C[C@@H](CC(F)(F)F)C(=O)N2)c(OC)n1 InChI=1S/C38H38Cl2F6N8O4/c1-57-35-29(15-47-13-21-9-19(33(55)51-21)11-37(41,42)43)49-17-27(53-35)25-7-3-5-23(31(25)39)24-6-4-8-26(32(24)40)28-18-50-30(36(54-28)58-2)16-48-14-22-10-20(34(56)52-22)12-38(44,45)46/h3-8,17-22,47-48H,9-16H2,1-2H3,(H,51,55)(H,52,56)/t19-,20-,21-,22-/m0/s1 MQFWCBDTKQVGMW-CMOCDZPBSA-N 452192 US10710986, Example 330::US11555029, No. 330 Programmed cell death 1 ligand/protein 1 5.68 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452192&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429902 440968176 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244090 COc1nc(cnc1CNC[C@@H]1CC2(CC2)C(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CC3(CC3)C(=O)N2)c(OC)n1 InChI=1S/C38H40Cl2N8O4/c1-51-33-29(17-41-15-21-13-37(9-10-37)35(49)45-21)43-19-27(47-33)25-7-3-5-23(31(25)39)24-6-4-8-26(32(24)40)28-20-44-30(34(48-28)52-2)18-42-16-22-14-38(11-12-38)36(50)46-22/h3-8,19-22,41-42H,9-18H2,1-2H3,(H,45,49)(H,46,50)/t21-,22-/m0/s1 VNIPAOGFRLXOOU-VXKWHMMOSA-N 452193 US10710986, Example 331::US11555029, No. 331 Programmed cell death 1 ligand/protein 1 0.669 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452193&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429897 440968177 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244091 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2[C@@H](C)COC[C@@H]2C)c(OC)n1 InChI=1S/C35H39Cl2N7O4/c1-20-18-48-19-21(2)44(20)17-30-35(47-4)43-28(16-40-30)26-10-6-8-24(33(26)37)23-7-5-9-25(32(23)36)27-15-39-29(34(42-27)46-3)14-38-13-22-11-12-31(45)41-22/h5-10,15-16,20-22,38H,11-14,17-19H2,1-4H3,(H,41,45)/t20-,21-,22-/m0/s1 MZFLULQASHIMEX-FKBYEOEOSA-N 452194 US10710986, Example 332::US11555029, No. 332 Programmed cell death 1 ligand/protein 1 0.743 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452194&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429901 440968178 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244092 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2CCN(C2)C2COC2)c(OC)n1 InChI=1S/C36H40Cl2N8O4/c1-48-35-30(14-39-13-21-9-10-32(47)43-21)41-15-28(44-35)26-7-3-5-24(33(26)37)25-6-4-8-27(34(25)38)29-16-42-31(36(45-29)49-2)17-40-22-11-12-46(18-22)23-19-50-20-23/h3-8,15-16,21-23,39-40H,9-14,17-20H2,1-2H3,(H,43,47)/t21-,22+/m0/s1 AGSDPMJQOWQVFK-FCHUYYIVSA-N 452195 US10710986, Example 333::US11555029, No. 333 Programmed cell death 1 ligand/protein 1 0.171 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452195&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429904 440968179 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244093 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2CCOC[C@H]2O)c(OC)n1 InChI=1S/C34H37Cl2N7O5/c1-46-33-27(14-37-13-19-9-10-30(45)41-19)39-15-25(42-33)22-7-3-5-20(31(22)35)21-6-4-8-23(32(21)36)26-16-40-28(34(43-26)47-2)17-38-24-11-12-48-18-29(24)44/h3-8,15-16,19,24,29,37-38,44H,9-14,17-18H2,1-2H3,(H,41,45)/t19-,24+,29+/m0/s1 YTWHRSHQMBQYKP-YBVHWXSISA-N 452196 US10710986, Example 334::US11555029, No. 334 Programmed cell death 1 ligand/protein 1 0.246 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452196&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429831 440968180 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244094 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2CCOC[C@@H]2O)c(OC)n1 InChI=1S/C34H37Cl2N7O5/c1-46-33-27(14-37-13-19-9-10-30(45)41-19)39-15-25(42-33)22-7-3-5-20(31(22)35)21-6-4-8-23(32(21)36)26-16-40-28(34(43-26)47-2)17-38-24-11-12-48-18-29(24)44/h3-8,15-16,19,24,29,37-38,44H,9-14,17-18H2,1-2H3,(H,41,45)/t19-,24-,29-/m0/s1 YTWHRSHQMBQYKP-KADOZOMVSA-N 452197 US10710986, Example 335::US11555029, No. 335 Programmed cell death 1 ligand/protein 1 0.172 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452197&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429833 440968181 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244095 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2COCC[C@@H]2O)c(OC)n1 InChI=1S/C34H37Cl2N7O5/c1-46-33-26(14-37-13-19-9-10-30(45)41-19)38-15-24(42-33)22-7-3-5-20(31(22)35)21-6-4-8-23(32(21)36)25-16-39-27(34(43-25)47-2)17-40-28-18-48-12-11-29(28)44/h3-8,15-16,19,28-29,37,40,44H,9-14,17-18H2,1-2H3,(H,41,45)/t19-,28-,29-/m0/s1 WYXHSDDFOFEDRX-GULPDURKSA-N 452198 US10710986, Example 336::US11555029, No. 336 Programmed cell death 1 ligand/protein 1 0.137 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452198&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429827 440968182 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244096 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCc2ccc(s2)S(N)(=O)=O)c(OC)n1 InChI=1S/C34H34Cl2N8O5S2/c1-48-33-27(15-38-13-19-9-11-29(45)42-19)40-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-41-28(34(44-26)49-2)16-39-14-20-10-12-30(50-20)51(37,46)47/h3-8,10,12,17-19,38-39H,9,11,13-16H2,1-2H3,(H,42,45)(H2,37,46,47)/t19-/m0/s1 XPZUXWSVKHEEFC-IBGZPJMESA-N 452199 US10710986, Example 337::US11555029, No. 337 Programmed cell death 1 ligand/protein 1 1.10 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452199&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429828 440968183 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244097 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCc2ncccc2O)c(OC)n1 InChI=1S/C35H34Cl2N8O4/c1-48-34-28(16-38-14-20-11-12-31(47)43-20)41-18-25(44-34)23-8-3-6-21(32(23)36)22-7-4-9-24(33(22)37)26-19-42-29(35(45-26)49-2)17-39-15-27-30(46)10-5-13-40-27/h3-10,13,18-20,38-39,46H,11-12,14-17H2,1-2H3,(H,43,47)/t20-/m0/s1 PPDWTEGEPMJLAO-FQEVSTJZSA-N 452200 US10710986, Example 338::US11555029, No. 338 Programmed cell death 1 ligand/protein 1 0.565 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452200&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429829 440968184 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244098 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2COCC[C@H]2O)c(OC)n1 InChI=1S/C34H37Cl2N7O5/c1-46-33-26(14-37-13-19-9-10-30(45)41-19)38-15-24(42-33)22-7-3-5-20(31(22)35)21-6-4-8-23(32(21)36)25-16-39-27(34(43-25)47-2)17-40-28-18-48-12-11-29(28)44/h3-8,15-16,19,28-29,37,40,44H,9-14,17-18H2,1-2H3,(H,41,45)/t19-,28+,29+/m0/s1 WYXHSDDFOFEDRX-DITPHDJLSA-N 452201 US10710986, Example 339::US11555029, No. 339 Programmed cell death 1 ligand/protein 1 0.192 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452201&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429832 440968185 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244099 COCCNCc1ncc(nc1OC)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C32H35Cl2N7O4/c1-43-13-12-35-15-26-31(44-2)40-24(17-37-26)22-8-4-6-20(29(22)33)21-7-5-9-23(30(21)34)25-18-38-27(32(41-25)45-3)16-36-14-19-10-11-28(42)39-19/h4-9,17-19,35-36H,10-16H2,1-3H3,(H,39,42)/t19-/m0/s1 UEXRYVIHWBPQDI-IBGZPJMESA-N 452202 US10710986, Example 340::US11555029, No. 340 Programmed cell death 1 ligand/protein 1 0.118 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452202&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429830 440968186 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244100 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2C[C@H](CO)C2)c(OC)n1 InChI=1S/C34H37Cl2N7O4/c1-46-33-28(14-37-13-20-9-10-30(45)41-20)39-15-26(42-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-16-40-29(34(43-27)47-2)17-38-21-11-19(12-21)18-44/h3-8,15-16,19-21,37-38,44H,9-14,17-18H2,1-2H3,(H,41,45)/t19-,20-,21+/m0/s1 FIKQKUIIGKYJAW-PCCBWWKXSA-N 452203 US10710986, Example 341::US11555029, No. 341 Programmed cell death 1 ligand/protein 1 0.094 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452203&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429429 440968187 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244101 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@H](O)C2)c(OC)n1 InChI=1S/C33H35Cl2N7O4/c1-45-32-27(14-36-13-18-9-10-29(44)40-18)38-15-25(41-32)23-7-3-5-21(30(23)34)22-6-4-8-24(31(22)35)26-16-39-28(33(42-26)46-2)17-37-19-11-20(43)12-19/h3-8,15-16,18-20,36-37,43H,9-14,17H2,1-2H3,(H,40,44)/t18-,19-,20-/m0/s1 MVZHJPDVFHMHHV-UFYCRDLUSA-N 452204 US10710986, Example 342::US11555029, No. 342 Programmed cell death 1 ligand/protein 1 0.107 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452204&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429425 440968188 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244102 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2C[C@H](O)C2)c(OC)n1 InChI=1S/C33H35Cl2N7O4/c1-45-32-27(14-36-13-18-9-10-29(44)40-18)38-15-25(41-32)23-7-3-5-21(30(23)34)22-6-4-8-24(31(22)35)26-16-39-28(33(42-26)46-2)17-37-19-11-20(43)12-19/h3-8,15-16,18-20,36-37,43H,9-14,17H2,1-2H3,(H,40,44)/t18-,19-,20+/m0/s1 MVZHJPDVFHMHHV-SLFFLAALSA-N 452205 US10710986, Example 343::US11555029, No. 343 Programmed cell death 1 ligand/protein 1 0.126 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452205&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429425 440968189 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244103 COc1nc(cnc1CNC[C@H](C)O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C32H35Cl2N7O4/c1-18(42)12-35-14-26-31(44-2)40-24(16-37-26)22-8-4-6-20(29(22)33)21-7-5-9-23(30(21)34)25-17-38-27(32(41-25)45-3)15-36-13-19-10-11-28(43)39-19/h4-9,16-19,35-36,42H,10-15H2,1-3H3,(H,39,43)/t18-,19-/m0/s1 VBKDFJWHMWAPEK-OALUTQOASA-N 452206 US10710986, Example 344::US11555029, No. 344 Programmed cell death 1 ligand/protein 1 0.114 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452206&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429427 440968190 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244104 COc1nc(cnc1CNC[C@@H](C)O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C32H35Cl2N7O4/c1-18(42)12-35-14-26-31(44-2)40-24(16-37-26)22-8-4-6-20(29(22)33)21-7-5-9-23(30(21)34)25-17-38-27(32(41-25)45-3)15-36-13-19-10-11-28(43)39-19/h4-9,16-19,35-36,42H,10-15H2,1-3H3,(H,39,43)/t18-,19+/m1/s1 VBKDFJWHMWAPEK-MOPGFXCFSA-N 452207 US10710986, Example 345::US11555029, No. 345 Programmed cell death 1 ligand/protein 1 0.313 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452207&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429426 440968191 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244105 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H](C)CO)c(OC)n1 InChI=1S/C32H35Cl2N7O4/c1-18(17-42)36-16-27-32(45-3)41-25(15-38-27)23-9-5-7-21(30(23)34)20-6-4-8-22(29(20)33)24-14-37-26(31(40-24)44-2)13-35-12-19-10-11-28(43)39-19/h4-9,14-15,18-19,35-36,42H,10-13,16-17H2,1-3H3,(H,39,43)/t18-,19-/m0/s1 UABWBUPOGDJXPV-OALUTQOASA-N 452208 US10710986, Example 346::US11555029, No. 346 Programmed cell death 1 ligand/protein 1 0.323 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452208&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429428 440968192 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244106 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H](C)CO)c(OC)n1 InChI=1S/C32H35Cl2N7O4/c1-18(17-42)36-16-27-32(45-3)41-25(15-38-27)23-9-5-7-21(30(23)34)20-6-4-8-22(29(20)33)24-14-37-26(31(40-24)44-2)13-35-12-19-10-11-28(43)39-19/h4-9,14-15,18-19,35-36,42H,10-13,16-17H2,1-3H3,(H,39,43)/t18-,19+/m1/s1 UABWBUPOGDJXPV-MOPGFXCFSA-N 452209 US10710986, Example 347::US11555029, No. 347 Programmed cell death 1 ligand/protein 1 0.245 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452209&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429430 440968193 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244107 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)N2CC(O)C2)c(OC)n1 InChI=1S/C35H38Cl2N8O4/c1-48-34-29(12-38-11-20-9-10-31(47)41-20)39-13-27(42-34)25-7-3-5-23(32(25)36)24-6-4-8-26(33(24)37)28-14-40-30(35(43-28)49-2)19-44-15-21(16-44)45-17-22(46)18-45/h3-8,13-14,20-22,38,46H,9-12,15-19H2,1-2H3,(H,41,47)/t20-/m0/s1 JHOWEONRADYSEU-FQEVSTJZSA-N 452210 US10710986, Example 348::US11555029, No. 348 Programmed cell death 1 ligand/protein 1 0.138 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452210&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430317 440968194 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244108 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)c2ccccn2)c(OC)n1 InChI=1S/C37H36Cl2N8O3/c1-49-36-31(16-40-15-23-12-13-33(48)44-23)42-17-29(45-36)26-9-5-7-24(34(26)38)25-8-6-10-27(35(25)39)30-18-43-32(37(46-30)50-2)21-47-19-22(20-47)28-11-3-4-14-41-28/h3-11,14,17-18,22-23,40H,12-13,15-16,19-21H2,1-2H3,(H,44,48)/t23-/m0/s1 XTIPZMPBCUKCGC-QHCPKHFHSA-N 452211 US10710986, Example 349::US11555029, No. 349 Programmed cell death 1 ligand/protein 1 0.389 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452211&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430311 440968195 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244109 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)c2ccccc2)c(OC)n1 InChI=1S/C38H37Cl2N7O3/c1-49-37-32(17-41-16-25-14-15-34(48)44-25)42-18-30(45-37)28-12-6-10-26(35(28)39)27-11-7-13-29(36(27)40)31-19-43-33(38(46-31)50-2)22-47-20-24(21-47)23-8-4-3-5-9-23/h3-13,18-19,24-25,41H,14-17,20-22H2,1-2H3,(H,44,48)/t25-/m0/s1 YCMCUVUQQZRHMZ-VWLOTQADSA-N 452212 US10710986, Example 350::US11555029, No. 350 Programmed cell death 1 ligand/protein 1 0.737 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452212&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430321 440968196 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244110 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)N2CCOCC2)c(OC)n1 InChI=1S/C36H40Cl2N8O4/c1-48-35-30(16-39-15-22-9-10-32(47)42-22)40-17-28(43-35)26-7-3-5-24(33(26)37)25-6-4-8-27(34(25)38)29-18-41-31(36(44-29)49-2)21-45-19-23(20-45)46-11-13-50-14-12-46/h3-8,17-18,22-23,39H,9-16,19-21H2,1-2H3,(H,42,47)/t22-/m0/s1 QARWGVIYHRGYFT-QFIPXVFZSA-N 452213 US10710986, Example 351::US11555029, No. 351 Programmed cell death 1 ligand/protein 1 0.283 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452213&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430301 440968197 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244111 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(Cn2c(C)ccc2C)c(OC)n1 InChI=1S/C35H35Cl2N7O3/c1-20-11-12-21(2)44(20)19-30-35(47-4)43-28(18-40-30)26-10-6-8-24(33(26)37)23-7-5-9-25(32(23)36)27-17-39-29(34(42-27)46-3)16-38-15-22-13-14-31(45)41-22/h5-12,17-18,22,38H,13-16,19H2,1-4H3,(H,41,45)/t22-/m0/s1 CIQCENMLAVKJAV-QFIPXVFZSA-N 452214 US10710986, Example 352::US11555029, No. 352 Programmed cell death 1 ligand/protein 1 4.63 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452214&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139415885 440968198 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244112 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2CC[C@H](O)C2)c(OC)n1 InChI=1S/C34H37Cl2N7O4/c1-46-33-28(15-37-14-20-10-12-30(45)41-20)39-16-26(42-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-17-40-29(34(43-27)47-2)18-38-19-9-11-21(44)13-19/h3-8,16-17,19-21,37-38,44H,9-15,18H2,1-2H3,(H,41,45)/t19-,20+,21+/m1/s1 ZLYDBKCVFRCIKM-HKBOAZHASA-N 452215 US10710986, Example 353::US11555029, No. 353 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452215&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430303 440968199 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244113 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2CC[C@@H](O)C2)c(OC)n1 InChI=1S/C34H37Cl2N7O4/c1-46-33-28(15-37-14-20-10-12-30(45)41-20)39-16-26(42-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-17-40-29(34(43-27)47-2)18-38-19-9-11-21(44)13-19/h3-8,16-17,19-21,37-38,44H,9-15,18H2,1-2H3,(H,41,45)/t19-,20+,21-/m1/s1 ZLYDBKCVFRCIKM-QHAWAJNXSA-N 452216 US10710986, Example 354::US11555029, No. 354 Programmed cell death 1 ligand/protein 1 0.133 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452216&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430307 440968200 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244114 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2CC[C@H](O)C2)c(OC)n1 InChI=1S/C34H37Cl2N7O4/c1-46-33-28(15-37-14-20-10-12-30(45)41-20)39-16-26(42-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-17-40-29(34(43-27)47-2)18-38-19-9-11-21(44)13-19/h3-8,16-17,19-21,37-38,44H,9-15,18H2,1-2H3,(H,41,45)/t19-,20-,21-/m0/s1 ZLYDBKCVFRCIKM-ACRUOGEOSA-N 452217 US10710986, Example 355::US11555029, No. 355 Programmed cell death 1 ligand/protein 1 0.129 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452217&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430289 440968201 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244115 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2CC[C@@H](O)C2)c(OC)n1 InChI=1S/C34H37Cl2N7O4/c1-46-33-28(15-37-14-20-10-12-30(45)41-20)39-16-26(42-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-17-40-29(34(43-27)47-2)18-38-19-9-11-21(44)13-19/h3-8,16-17,19-21,37-38,44H,9-15,18H2,1-2H3,(H,41,45)/t19-,20-,21+/m0/s1 ZLYDBKCVFRCIKM-PCCBWWKXSA-N 452218 US10710986, Example 356::US11555029, No. 356 Programmed cell death 1 ligand/protein 1 0.102 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452218&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430291 440968202 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244116 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@@H](C2)S(C)(=O)=O)c(OC)n1 InChI=1S/C34H37Cl2N7O5S/c1-47-33-28(15-37-14-19-10-11-30(44)41-19)39-16-26(42-33)24-8-4-6-22(31(24)35)23-7-5-9-25(32(23)36)27-17-40-29(34(43-27)48-2)18-38-20-12-21(13-20)49(3,45)46/h4-9,16-17,19-21,37-38H,10-15,18H2,1-3H3,(H,41,44)/t19-,20-,21-/m0/s1 NLDVXGDXZPCDDK-ACRUOGEOSA-N 452219 US10710986, Example 357::US11555029, No. 357 Programmed cell death 1 ligand/protein 1 0.096 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452219&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430287 440968203 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244117 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@H](C2)S(C)(=O)=O)c(OC)n1 InChI=1S/C34H37Cl2N7O5S/c1-47-33-28(15-37-14-19-10-11-30(44)41-19)39-16-26(42-33)24-8-4-6-22(31(24)35)23-7-5-9-25(32(23)36)27-17-40-29(34(43-27)48-2)18-38-20-12-21(13-20)49(3,45)46/h4-9,16-17,19-21,37-38H,10-15,18H2,1-3H3,(H,41,44)/t19-,20-,21+/m0/s1 NLDVXGDXZPCDDK-PCCBWWKXSA-N 452220 US10710986, Example 358::US11555029, No. 358 Programmed cell death 1 ligand/protein 1 0.141 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452220&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430287 440968204 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244118 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2CCOC2)c(OC)n1 InChI=1S/C33H35Cl2N7O4/c1-44-32-27(14-36-13-19-9-10-29(43)40-19)38-15-25(41-32)23-7-3-5-21(30(23)34)22-6-4-8-24(31(22)35)26-16-39-28(33(42-26)45-2)17-37-20-11-12-46-18-20/h3-8,15-16,19-20,36-37H,9-14,17-18H2,1-2H3,(H,40,43)/t19-,20-/m0/s1 RZHJXNGFNDFZOM-PMACEKPBSA-N 452221 US10710986, Example 359::US11555029, No. 359 Programmed cell death 1 ligand/protein 1 0.132 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452221&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430288 440968205 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244119 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2CCOC2)c(OC)n1 InChI=1S/C33H35Cl2N7O4/c1-44-32-27(14-36-13-19-9-10-29(43)40-19)38-15-25(41-32)23-7-3-5-21(30(23)34)22-6-4-8-24(31(22)35)26-16-39-28(33(42-26)45-2)17-37-20-11-12-46-18-20/h3-8,15-16,19-20,36-37H,9-14,17-18H2,1-2H3,(H,40,43)/t19-,20+/m0/s1 RZHJXNGFNDFZOM-VQTJNVASSA-N 452222 US10710986, Example 360::US11555029, No. 360 Programmed cell death 1 ligand/protein 1 0.401 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452222&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430290 440968206 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244120 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@@H](C2)NC(C)=O)c(OC)n1 InChI=1S/C35H38Cl2N8O4/c1-19(46)42-22-12-21(13-22)39-18-30-35(49-3)45-28(17-41-30)26-9-5-7-24(33(26)37)23-6-4-8-25(32(23)36)27-16-40-29(34(44-27)48-2)15-38-14-20-10-11-31(47)43-20/h4-9,16-17,20-22,38-39H,10-15,18H2,1-3H3,(H,42,46)(H,43,47)/t20-,21-,22-/m0/s1 RLBVGBKEOGGKTF-FKBYEOEOSA-N 452223 US10710986, Example 361::US11555029, No. 361 Programmed cell death 1 ligand/protein 1 0.130 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452223&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429472 440968207 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244121 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@H](C2)NC(C)=O)c(OC)n1 InChI=1S/C35H38Cl2N8O4/c1-19(46)42-22-12-21(13-22)39-18-30-35(49-3)45-28(17-41-30)26-9-5-7-24(33(26)37)23-6-4-8-25(32(23)36)27-16-40-29(34(44-27)48-2)15-38-14-20-10-11-31(47)43-20/h4-9,16-17,20-22,38-39H,10-15,18H2,1-3H3,(H,42,46)(H,43,47)/t20-,21-,22+/m0/s1 RLBVGBKEOGGKTF-FDFHNCONSA-N 452224 US10710986, Example 362::US11555029, No. 362 Programmed cell death 1 ligand/protein 1 0.074 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452224&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429472 440968208 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244122 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC2CC3(C2)CS(=O)(=O)C3)c(OC)n1 InChI=1S/C35H37Cl2N7O5S/c1-48-33-28(14-38-13-20-9-10-30(45)42-20)40-15-26(43-33)24-7-3-5-22(31(24)36)23-6-4-8-25(32(23)37)27-16-41-29(34(44-27)49-2)17-39-21-11-35(12-21)18-50(46,47)19-35/h3-8,15-16,20-21,38-39H,9-14,17-19H2,1-2H3,(H,42,45)/t20-/m0/s1 DICLESJQVZPFKU-FQEVSTJZSA-N 452225 US10710986, Example 363::US11555029, No. 363 Programmed cell death 1 ligand/protein 1 0.424 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452225&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457575 440968209 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244123 CO[C@H]1C[C@@H](C1)NCc1ncc(nc1OC)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C34H37Cl2N7O4/c1-45-21-12-20(13-21)38-18-29-34(47-3)43-27(17-40-29)25-9-5-7-23(32(25)36)22-6-4-8-24(31(22)35)26-16-39-28(33(42-26)46-2)15-37-14-19-10-11-30(44)41-19/h4-9,16-17,19-21,37-38H,10-15,18H2,1-3H3,(H,41,44)/t19-,20-,21-/m0/s1 BXMVXWHSUMKGKH-ACRUOGEOSA-N 452226 US10710986, Example 364::US11555029, No. 364 Programmed cell death 1 ligand/protein 1 0.244 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452226&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429473 440968210 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244124 CO[C@@H]1C[C@@H](C1)NCc1ncc(nc1OC)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C34H37Cl2N7O4/c1-45-21-12-20(13-21)38-18-29-34(47-3)43-27(17-40-29)25-9-5-7-23(32(25)36)22-6-4-8-24(31(22)35)26-16-39-28(33(42-26)46-2)15-37-14-19-10-11-30(44)41-19/h4-9,16-17,19-21,37-38H,10-15,18H2,1-3H3,(H,41,44)/t19-,20-,21+/m0/s1 BXMVXWHSUMKGKH-PCCBWWKXSA-N 452227 US10710986, Example 365::US11555029, No. 365 Programmed cell death 1 ligand/protein 1 0.070 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452227&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429473 440968211 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244125 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@@H](C2)C(C)(C)O)c(OC)n1 InChI=1S/C36H41Cl2N7O4/c1-36(2,47)20-13-22(14-20)40-19-30-35(49-4)45-28(18-42-30)26-10-6-8-24(33(26)38)23-7-5-9-25(32(23)37)27-17-41-29(34(44-27)48-3)16-39-15-21-11-12-31(46)43-21/h5-10,17-18,20-22,39-40,47H,11-16,19H2,1-4H3,(H,43,46)/t20-,21-,22-/m0/s1 VJWUYWLZTBTZIH-FKBYEOEOSA-N 452228 US10710986, Example 366::US11555029, No. 366 Programmed cell death 1 ligand/protein 1 0.115 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452228&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429474 440968212 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244126 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CS(=O)(=O)C3)c(OC)n1 InChI=1S/C34H35Cl2N7O5S/c1-47-32-27(12-37-11-20-9-10-29(44)40-20)38-13-25(41-32)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-14-39-28(33(42-26)48-2)15-43-16-34(17-43)18-49(45,46)19-34/h3-8,13-14,20,37H,9-12,15-19H2,1-2H3,(H,40,44)/t20-/m0/s1 RMUOCCHLROMKFR-FQEVSTJZSA-N 452229 US10710986, Example 367::US11555029, No. 367 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452229&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457577 440968213 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244127 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(OC)n1 InChI=1S/C35H36Cl2N8O4/c1-48-33-27(13-38-12-20-9-10-29(46)42-20)39-14-25(43-33)23-7-3-5-21(31(23)36)22-6-4-8-24(32(22)37)26-15-40-28(34(44-26)49-2)16-45-18-35(19-45)11-30(47)41-17-35/h3-8,14-15,20,38H,9-13,16-19H2,1-2H3,(H,41,47)(H,42,46)/t20-/m0/s1 WEPZYOYGBOPWII-FQEVSTJZSA-N 452230 US10710986, Example 368::US11555029, No. 368 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452230&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430439 440968214 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244128 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)NC(C)=O)c(OC)n1 InChI=1S/C34H36Cl2N8O4/c1-19(45)40-21-16-44(17-21)18-29-34(48-3)43-27(15-39-29)25-9-5-7-23(32(25)36)22-6-4-8-24(31(22)35)26-14-38-28(33(42-26)47-2)13-37-12-20-10-11-30(46)41-20/h4-9,14-15,20-21,37H,10-13,16-18H2,1-3H3,(H,40,45)(H,41,46)/t20-/m0/s1 BOPCSGUNEZZVMW-FQEVSTJZSA-N 452231 US10710986, Example 369::US11555029, No. 369 Programmed cell death 1 ligand/protein 1 0.078 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452231&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430440 440968215 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244129 COc1nc(cnc1CNCCn1ccccc1=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C36H36Cl2N8O4/c1-49-35-29(18-39-14-16-46-15-4-3-11-32(46)48)41-20-27(44-35)25-9-5-7-23(33(25)37)24-8-6-10-26(34(24)38)28-21-42-30(36(45-28)50-2)19-40-17-22-12-13-31(47)43-22/h3-11,15,20-22,39-40H,12-14,16-19H2,1-2H3,(H,43,47)/t22-/m0/s1 VZGZENIZYGXLBS-QFIPXVFZSA-N 452232 US10710986, Example 370::US11555029, No. 370 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452232&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430441 440968216 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244130 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CCC(=O)N3)c(OC)n1 InChI=1S/C35H36Cl2N8O4/c1-48-33-27(14-38-13-20-9-10-29(46)41-20)39-15-25(42-33)23-7-3-5-21(31(23)36)22-6-4-8-24(32(22)37)26-16-40-28(34(43-26)49-2)17-45-18-35(19-45)12-11-30(47)44-35/h3-8,15-16,20,38H,9-14,17-19H2,1-2H3,(H,41,46)(H,44,47)/t20-/m0/s1 SLIONMCBSQJQFN-FQEVSTJZSA-N 452233 US10710986, Example 371::US11555029, No. 371 Programmed cell death 1 ligand/protein 1 0.213 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452233&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430444 440968217 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244131 COc1nc(cnc1CNCCN1CCCC1=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C35H38Cl2N8O4/c1-48-34-28(17-38-13-15-45-14-5-10-31(45)47)40-19-26(43-34)24-8-3-6-22(32(24)36)23-7-4-9-25(33(23)37)27-20-41-29(35(44-27)49-2)18-39-16-21-11-12-30(46)42-21/h3-4,6-9,19-21,38-39H,5,10-18H2,1-2H3,(H,42,46)/t21-/m0/s1 XLRFXOPIVCHTFA-NRFANRHFSA-N 452234 US10710986, Example 372::US11555029, No. 372 Programmed cell death 1 ligand/protein 1 0.104 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452234&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430443 440968218 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244132 COc1nc(cnc1CNCCNC(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C33H36Cl2N8O4/c1-19(44)38-13-12-36-15-27-32(46-2)42-25(17-39-27)23-8-4-6-21(30(23)34)22-7-5-9-24(31(22)35)26-18-40-28(33(43-26)47-3)16-37-14-20-10-11-29(45)41-20/h4-9,17-18,20,36-37H,10-16H2,1-3H3,(H,38,44)(H,41,45)/t20-/m0/s1 FMGXJMVVXIPJMP-FQEVSTJZSA-N 452235 US10710986, Example 373::US11555029, No. 373 Programmed cell death 1 ligand/protein 1 0.130 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452235&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430445 440968219 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244133 COc1nc(cnc1CNCCO)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C31H33Cl2N7O4/c1-43-30-25(14-34-11-12-41)36-16-23(39-30)21-7-3-5-19(28(21)32)20-6-4-8-22(29(20)33)24-17-37-26(31(40-24)44-2)15-35-13-18-9-10-27(42)38-18/h3-8,16-18,34-35,41H,9-15H2,1-2H3,(H,38,42)/t18-/m0/s1 CVSQIDBXLCGZMH-SFHVURJKSA-N 452236 US10710986, Example 374::US11555029, No. 374 Programmed cell death 1 ligand/protein 1 0.183 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452236&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430119 440968220 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244134 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC(C)(C)CNC(C)=O)c(OC)n1 InChI=1S/C35H40Cl2N8O4/c1-20(46)41-19-35(2,3)42-18-29-34(49-5)45-27(17-40-29)25-11-7-9-23(32(25)37)22-8-6-10-24(31(22)36)26-16-39-28(33(44-26)48-4)15-38-14-21-12-13-30(47)43-21/h6-11,16-17,21,38,42H,12-15,18-19H2,1-5H3,(H,41,46)(H,43,47)/t21-/m0/s1 SECSPIVXQQLALT-NRFANRHFSA-N 452237 US10710986, Example 375::US11555029, No. 375 Programmed cell death 1 ligand/protein 1 0.459 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452237&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430111 440968221 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244135 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC(C)(C)NC(C)=O)c(OC)n1 InChI=1S/C35H40Cl2N8O4/c1-20(46)45-35(2,3)19-39-16-29-34(49-5)44-27(18-41-29)25-11-7-9-23(32(25)37)22-8-6-10-24(31(22)36)26-17-40-28(33(43-26)48-4)15-38-14-21-12-13-30(47)42-21/h6-11,17-18,21,38-39H,12-16,19H2,1-5H3,(H,42,47)(H,45,46)/t21-/m0/s1 RRXFFHQGSZSHIB-NRFANRHFSA-N 452238 US10710986, Example 376::US11555029, No. 376 Programmed cell death 1 ligand/protein 1 0.208 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452238&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430115 440968222 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244136 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC(C)(C)CO)c(OC)n1 InChI=1S/C33H37Cl2N7O4/c1-33(2,18-43)39-17-27-32(46-4)42-25(16-38-27)23-10-6-8-21(30(23)35)20-7-5-9-22(29(20)34)24-15-37-26(31(41-24)45-3)14-36-13-19-11-12-28(44)40-19/h5-10,15-16,19,36,39,43H,11-14,17-18H2,1-4H3,(H,40,44)/t19-/m0/s1 PDHMCEPMWIZFTC-IBGZPJMESA-N 452239 US10710986, Example 377::US11555029, No. 377 Programmed cell death 1 ligand/protein 1 0.098 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452239&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430130 440968223 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244137 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC(C)(C)O)c(OC)n1 InChI=1S/C33H37Cl2N7O4/c1-33(2,44)18-37-15-27-32(46-4)42-25(17-39-27)23-10-6-8-21(30(23)35)20-7-5-9-22(29(20)34)24-16-38-26(31(41-24)45-3)14-36-13-19-11-12-28(43)40-19/h5-10,16-17,19,36-37,44H,11-15,18H2,1-4H3,(H,40,43)/t19-/m0/s1 HPTCGZNWAJAVAM-IBGZPJMESA-N 452240 US10710986, Example 378::US11555029, No. 378 Programmed cell death 1 ligand/protein 1 0.396 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452240&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430112 440968224 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244138 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(O)C2)c(OC)n1 InChI=1S/C32H33Cl2N7O4/c1-44-31-26(12-35-11-18-9-10-28(43)38-18)36-13-24(39-31)22-7-3-5-20(29(22)33)21-6-4-8-23(30(21)34)25-14-37-27(32(40-25)45-2)17-41-15-19(42)16-41/h3-8,13-14,18-19,35,42H,9-12,15-17H2,1-2H3,(H,38,43)/t18-/m0/s1 RQXHWWDTJIOEAD-SFHVURJKSA-N 452241 US10710986, Example 379::US11555029, No. 379 Programmed cell death 1 ligand/protein 1 0.155 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452241&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430123 440968225 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244139 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](O)C2)c(OC)n1 InChI=1S/C33H35Cl2N7O4/c1-45-32-27(14-36-13-19-9-10-29(44)39-19)37-15-25(40-32)23-7-3-5-21(30(23)34)22-6-4-8-24(31(22)35)26-16-38-28(33(41-26)46-2)18-42-12-11-20(43)17-42/h3-8,15-16,19-20,36,43H,9-14,17-18H2,1-2H3,(H,39,44)/t19-,20+/m0/s1 ZIAPZBVXWPZBND-VQTJNVASSA-N 452242 US10710986, Example 380::US11555029, No. 380 Programmed cell death 1 ligand/protein 1 0.203 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452242&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430132 440968226 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244140 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2CCC[C@@H]2O)c(OC)n1 InChI=1S/C34H37Cl2N7O4/c1-46-33-27(15-37-14-19-12-13-30(45)41-19)39-16-25(42-33)22-8-3-6-20(31(22)35)21-7-4-9-23(32(21)36)26-17-40-28(34(43-26)47-2)18-38-24-10-5-11-29(24)44/h3-4,6-9,16-17,19,24,29,37-38,44H,5,10-15,18H2,1-2H3,(H,41,45)/t19-,24+,29-/m0/s1 QRMOJGFEXASXJU-OVGHYBAFSA-N 452243 US10710986, Example 381::US11555029, No. 381 Programmed cell death 1 ligand/protein 1 0.085 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452243&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430118 440968227 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244141 COc1nc(cnc1CNCC(C)(C)O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC(C)(C)O)c(OC)n1 InChI=1S/C32H38Cl2N6O4/c1-31(2,41)17-35-13-25-29(43-5)39-23(15-37-25)21-11-7-9-19(27(21)33)20-10-8-12-22(28(20)34)24-16-38-26(30(40-24)44-6)14-36-18-32(3,4)42/h7-12,15-16,35-36,41-42H,13-14,17-18H2,1-6H3 CJOZVLWLCMCKHB-UHFFFAOYSA-N 452244 US10710986, Example 382::US11555029, No. 382 Programmed cell death 1 ligand/protein 1 0.289 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452244&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429412 440968228 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244142 COc1nc(cnc1CN[C@@H]1CCC[C@@H]1O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2CCC[C@@H]2O)c(OC)n1 InChI=1S/C34H38Cl2N6O4/c1-45-33-27(17-37-23-11-5-13-29(23)43)39-15-25(41-33)21-9-3-7-19(31(21)35)20-8-4-10-22(32(20)36)26-16-40-28(34(42-26)46-2)18-38-24-12-6-14-30(24)44/h3-4,7-10,15-16,23-24,29-30,37-38,43-44H,5-6,11-14,17-18H2,1-2H3/t23-,24-,29+,30+/m1/s1 HRQAEPXWZHDGRB-PEMRLZPOSA-N 452245 US10710986, Example 383::US11555029, No. 383 Programmed cell death 1 ligand/protein 1 0.887 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452245&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429416 440968229 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244143 COc1nc(cnc1CNC(C)(C)CO)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC(C)(C)CO)c(OC)n1 InChI=1S/C32H38Cl2N6O4/c1-31(2,17-41)37-15-25-29(43-5)39-23(13-35-25)21-11-7-9-19(27(21)33)20-10-8-12-22(28(20)34)24-14-36-26(30(40-24)44-6)16-38-32(3,4)18-42/h7-14,37-38,41-42H,15-18H2,1-6H3 PRQKQVLLDMZBEH-UHFFFAOYSA-N 452246 US10710986, Example 384::US11555029, No. 384 Programmed cell death 1 ligand/protein 1 0.154 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452246&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429414 440968230 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244144 COc1nc(cnc1[C@H](C)N)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc([C@H](C)N)c(OC)n1 InChI=1S/C26H26Cl2N6O2/c1-13(29)23-25(35-3)33-19(11-31-23)17-9-5-7-15(21(17)27)16-8-6-10-18(22(16)28)20-12-32-24(14(2)30)26(34-20)36-4/h5-14H,29-30H2,1-4H3/t13-,14-/m0/s1 ZMPXNLWPOQMCIH-KBPBESRZSA-N 452247 US10710986, Example 385::US11555029, No. 385 Programmed cell death 1 ligand/protein 1 0.292 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452247&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429409 440968231 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244145 COc1nc(cnc1[C@@H](C)N)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc([C@@H](C)N)c(OC)n1 InChI=1S/C26H26Cl2N6O2/c1-13(29)23-25(35-3)33-19(11-31-23)17-9-5-7-15(21(17)27)16-8-6-10-18(22(16)28)20-12-32-24(14(2)30)26(34-20)36-4/h5-14H,29-30H2,1-4H3/t13-,14-/m1/s1 ZMPXNLWPOQMCIH-ZIAGYGMSSA-N 452248 US10710986, Example 386::US11555029, No. 386 Programmed cell death 1 ligand/protein 1 0.879 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452248&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429410 440968232 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244146 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2CC[C@@H]3CC(=O)N[C@H]23)c(OC)n1 InChI=1S/C36H38Cl2N8O4/c1-49-35-28(15-39-14-20-10-12-30(47)43-20)41-16-26(44-35)23-7-3-5-21(32(23)37)22-6-4-8-24(33(22)38)27-17-42-29(36(45-27)50-2)18-40-25-11-9-19-13-31(48)46-34(19)25/h3-8,16-17,19-20,25,34,39-40H,9-15,18H2,1-2H3,(H,43,47)(H,46,48)/t19-,20+,25-,34+/m1/s1 NVVTWQXSGMPXSE-YSRASGSOSA-N 452249 US10710986, Example 387::US11555029, No. 387 Programmed cell death 1 ligand/protein 1 0.625 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452249&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457756 440968233 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244147 COc1nc(cnc1CN[C@@H]1CC[C@@H]2CC(=O)N[C@H]12)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2CC[C@@H]3CC(=O)N[C@H]23)c(OC)n1 InChI=1S/C38H40Cl2N8O4/c1-51-37-29(17-41-25-11-9-19-13-31(49)47-35(19)25)43-15-27(45-37)23-7-3-5-21(33(23)39)22-6-4-8-24(34(22)40)28-16-44-30(38(46-28)52-2)18-42-26-12-10-20-14-32(50)48-36(20)26/h3-8,15-16,19-20,25-26,35-36,41-42H,9-14,17-18H2,1-2H3,(H,47,49)(H,48,50)/t19-,20-,25-,26-,35+,36+/m1/s1 YMSFTFLYBYLLKT-JYZFPDHCSA-N 452250 US10710986, Example 388::US11555029, No. 388 Programmed cell death 1 ligand/protein 1 1.22 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452250&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457795 440968234 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244148 COc1nc(cnc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1Cl)-c1cccc(c1Br)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(OC)n1 InChI=1S/C36H36BrClN8O4/c1-49-33-27(13-45-17-35(18-45)9-29(47)41-15-35)39-11-25(43-33)23-7-3-5-21(31(23)37)22-6-4-8-24(32(22)38)26-12-40-28(34(44-26)50-2)14-46-19-36(20-46)10-30(48)42-16-36/h3-8,11-12H,9-10,13-20H2,1-2H3,(H,41,47)(H,42,48) VMVADXQSQNCAFH-UHFFFAOYSA-N 452251 US10710986, Example 389::US11555029, No. 389 Programmed cell death 1 ligand/protein 1 0.211 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452251&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429405 440968235 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244149 COc1nc(cnc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Br)-c1cnc(CN2CC3(C2)CCC(=O)N3)c(OC)n1 InChI=1S/C36H36BrClN8O4/c1-49-33-27(15-45-17-35(18-45)11-9-29(47)43-35)39-13-25(41-33)23-7-3-5-21(31(23)37)22-6-4-8-24(32(22)38)26-14-40-28(34(42-26)50-2)16-46-19-36(20-46)12-10-30(48)44-36/h3-8,13-14H,9-12,15-20H2,1-2H3,(H,43,47)(H,44,48) SISLJDBLBJXSMO-UHFFFAOYSA-N 452252 US10710986, Example 390::US11555029, No. 390 Programmed cell death 1 ligand/protein 1 0.146 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452252&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430261 440968236 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244150 COc1nc(cnc1CN1CC(O)C1)-c1cccc(c1Cl)-c1cccc(c1Br)-c1cnc(CN2CC(O)C2)c(OC)n1 InChI=1S/C30H30BrClN6O4/c1-41-29-25(15-37-11-17(39)12-37)33-9-23(35-29)21-7-3-5-19(27(21)31)20-6-4-8-22(28(20)32)24-10-34-26(30(36-24)42-2)16-38-13-18(40)14-38/h3-10,17-18,39-40H,11-16H2,1-2H3 AKORPPRGEMAAAN-UHFFFAOYSA-N 452253 US10710986, Example 391::US11555029, No. 391 Programmed cell death 1 ligand/protein 1 0.232 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452253&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430259 440968237 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244151 COc1nc(cnc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Br)-c1cnc(CNC[C@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C34H36BrClN8O4/c1-47-33-27(15-37-13-19-9-11-29(45)41-19)39-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-40-28(34(44-26)48-2)16-38-14-20-10-12-30(46)42-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,41,45)(H,42,46)/t19-,20-/m1/s1 KSPVKDOCHLFUMF-WOJBJXKFSA-N 452254 US10710986, Example 392::US11555029, No. 392 Programmed cell death 1 ligand/protein 1 0.246 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452254&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430260 440968238 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244152 COc1nc(cnc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1F)-c1cccc(c1Br)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(OC)n1 InChI=1S/C36H36BrFN8O4/c1-49-33-27(13-45-17-35(18-45)9-29(47)41-15-35)39-11-25(43-33)23-7-3-5-21(31(23)37)22-6-4-8-24(32(22)38)26-12-40-28(34(44-26)50-2)14-46-19-36(20-46)10-30(48)42-16-36/h3-8,11-12H,9-10,13-20H2,1-2H3,(H,41,47)(H,42,48) IZTMKLPQCSQEHK-UHFFFAOYSA-N 452255 US10710986, Example 393::US11555029, No. 393 Programmed cell death 1 ligand/protein 1 2.23 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452255&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430262 440968239 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244153 COc1nc(cnc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1F)-c1cccc(c1Br)-c1cnc(CN2CC3(C2)CCC(=O)N3)c(OC)n1 InChI=1S/C36H36BrFN8O4/c1-49-33-27(15-45-17-35(18-45)11-9-29(47)43-35)39-13-25(41-33)23-7-3-5-21(31(23)37)22-6-4-8-24(32(22)38)26-14-40-28(34(42-26)50-2)16-46-19-36(20-46)12-10-30(48)44-36/h3-8,13-14H,9-12,15-20H2,1-2H3,(H,43,47)(H,44,48) KFLVAJVYIWDZDD-UHFFFAOYSA-N 452256 US10710986, Example 394::US11555029, No. 394 Programmed cell death 1 ligand/protein 1 1.78 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452256&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430263 440968240 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244154 COc1nc(cnc1CN1CC(O)C1)-c1cccc(c1F)-c1cccc(c1Br)-c1cnc(CN2CC(O)C2)c(OC)n1 InChI=1S/C30H30BrFN6O4/c1-41-29-25(15-37-11-17(39)12-37)33-9-23(35-29)21-7-3-5-19(27(21)31)20-6-4-8-22(28(20)32)24-10-34-26(30(36-24)42-2)16-38-13-18(40)14-38/h3-10,17-18,39-40H,11-16H2,1-2H3 PTZQHKKCROFVKZ-UHFFFAOYSA-N 452257 US10710986, Example 395::US11555029, No. 395 Programmed cell death 1 ligand/protein 1 9.23 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452257&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429861 440968241 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244155 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1F)-c1cccc(c1Br)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C34H36BrFN8O4/c1-47-33-27(15-37-13-19-9-11-29(45)41-19)39-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-40-28(34(44-26)48-2)16-38-14-20-10-12-30(46)42-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,41,45)(H,42,46)/t19-,20-/m0/s1 LGZUIXSUNGYVPD-PMACEKPBSA-N 452258 US10710986, Example 396::US11555029, No. 396 Programmed cell death 1 ligand/protein 1 2.02 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452258&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429862 440968242 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244156 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cc(F)cc(c1Cl)-c1cc(F)cc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C34H34Cl2F2N8O4/c1-49-33-27(13-39-11-19-3-5-29(47)43-19)41-15-25(45-33)23-9-17(37)7-21(31(23)35)22-8-18(38)10-24(32(22)36)26-16-42-28(34(46-26)50-2)14-40-12-20-4-6-30(48)44-20/h7-10,15-16,19-20,39-40H,3-6,11-14H2,1-2H3,(H,43,47)(H,44,48)/t19-,20-/m0/s1 BEIXRCSXJZDCSF-PMACEKPBSA-N 452259 US10710986, Example 397::US11555029, No. 397 Programmed cell death 1 ligand/protein 1 0.561 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452259&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429808 440968243 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244157 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cc(F)cc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C34H35Cl2FN8O4/c1-48-33-27(14-38-12-19-6-8-29(46)42-19)40-16-25(44-33)22-5-3-4-21(31(22)35)23-10-18(37)11-24(32(23)36)26-17-41-28(34(45-26)49-2)15-39-13-20-7-9-30(47)43-20/h3-5,10-11,16-17,19-20,38-39H,6-9,12-15H2,1-2H3,(H,42,46)(H,43,47)/t19-,20-/m0/s1 LLVRNYFPXYWJIK-PMACEKPBSA-N 452260 US10710986, Example 398::US11555029, No. 398 Programmed cell death 1 ligand/protein 1 0.195 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452260&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139416251 440968244 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244158 COc1nc(cnc1CN1CC(O)C1)-c1cccc(c1Cl)-c1cc(F)cc(c1Cl)-c1cnc(CN2CC(O)C2)c(OC)n1 InChI=1S/C30H29Cl2FN6O4/c1-42-29-25(14-38-10-17(40)11-38)34-8-23(36-29)20-5-3-4-19(27(20)31)21-6-16(33)7-22(28(21)32)24-9-35-26(30(37-24)43-2)15-39-12-18(41)13-39/h3-9,17-18,40-41H,10-15H2,1-2H3 KXTSIXPLULFJCU-UHFFFAOYSA-N 452261 US10710986, Example 399::US11555029, No. 399 Programmed cell death 1 ligand/protein 1 0.324 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452261&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429860 440968245 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244159 COC1CN(Cc2ncc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CN3CC(C3)OC)c(OC)n2)C1 InChI=1S/C32H34Cl2N6O4/c1-41-19-13-39(14-19)17-27-31(43-3)37-25(11-35-27)23-9-5-7-21(29(23)33)22-8-6-10-24(30(22)34)26-12-36-28(32(38-26)44-4)18-40-15-20(16-40)42-2/h5-12,19-20H,13-18H2,1-4H3 CHKHIYDDVRHADE-UHFFFAOYSA-N 452262 US10710986, Example 400::US11555029, No. 400 Programmed cell death 1 ligand/protein 1 0.173 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452262&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429863 440968246 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244160 COc1nc(cnc1CN(C)C)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN(C)C)c(OC)n1 InChI=1S/C28H30Cl2N6O2/c1-35(2)15-23-27(37-5)33-21(13-31-23)19-11-7-9-17(25(19)29)18-10-8-12-20(26(18)30)22-14-32-24(16-36(3)4)28(34-22)38-6/h7-14H,15-16H2,1-6H3 WYBPBIZXYISNMM-UHFFFAOYSA-N 452263 US10710986, Example 401::US11555029, No. 401 Programmed cell death 1 ligand/protein 1 0.295 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452263&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430191 440968247 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244161 CNCc1ncc(nc1OC)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC)c(OC)n1 InChI=1S/C26H26Cl2N6O2/c1-29-11-21-25(35-3)33-19(13-31-21)17-9-5-7-15(23(17)27)16-8-6-10-18(24(16)28)20-14-32-22(12-30-2)26(34-20)36-4/h5-10,13-14,29-30H,11-12H2,1-4H3 OHHWMWHEPSZDKV-UHFFFAOYSA-N 452264 US10710986, Example 402::US11555029, No. 402 Programmed cell death 1 ligand/protein 1 0.175 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452264&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430192 440968248 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244162 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2CC(=O)NC2=O)c(OC)n1 InChI=1S/C34H34Cl2N8O5/c1-48-33-26(14-37-12-18-11-29(46)44-32(18)47)39-16-24(42-33)22-7-3-5-20(30(22)35)21-6-4-8-23(31(21)36)25-17-40-27(34(43-25)49-2)15-38-13-19-9-10-28(45)41-19/h3-8,16-19,37-38H,9-15H2,1-2H3,(H,41,45)(H,44,46,47)/t18?,19-/m0/s1 MZFDFHOZJOENCF-GGYWPGCISA-N 452265 US10710986, Example 403::US11555029, No. 403 Programmed cell death 1 ligand/protein 1 0.070 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452265&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430198 440968249 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244163 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C2)c2cnccn2)c(OC)n1 InChI=1S/C37H37Cl2N9O3/c1-50-36-31(17-41-15-23-9-10-33(49)45-23)43-18-29(46-36)26-7-3-5-24(34(26)38)25-6-4-8-27(35(25)39)30-19-44-32(37(47-30)51-2)21-48-14-11-22(20-48)28-16-40-12-13-42-28/h3-8,12-13,16,18-19,22-23,41H,9-11,14-15,17,20-21H2,1-2H3,(H,45,49)/t22?,23-/m0/s1 ADBGQFOROVMJQW-WCSIJFPASA-N 452266 US10710986, Example 404::US11555029, No. 404 Programmed cell death 1 ligand/protein 1 0.070 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452266&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430199 440968250 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244164 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C2)c2cccnc2)c(OC)n1 InChI=1S/C38H38Cl2N8O3/c1-50-37-32(18-42-17-25-11-12-34(49)45-25)43-19-30(46-37)28-9-3-7-26(35(28)39)27-8-4-10-29(36(27)40)31-20-44-33(38(47-31)51-2)22-48-15-13-24(21-48)23-6-5-14-41-16-23/h3-10,14,16,19-20,24-25,42H,11-13,15,17-18,21-22H2,1-2H3,(H,45,49)/t24?,25-/m0/s1 KTPGTGZVXZWHEW-BBMPLOMVSA-N 452267 US10710986, Example 405::US11555029, No. 405 Programmed cell death 1 ligand/protein 1 0.160 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452267&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430201 440968251 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244165 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C2)c2ccccn2)c(OC)n1 InChI=1S/C38H38Cl2N8O3/c1-50-37-32(18-41-17-24-12-13-34(49)45-24)43-19-30(46-37)27-9-5-7-25(35(27)39)26-8-6-10-28(36(26)40)31-20-44-33(38(47-31)51-2)22-48-16-14-23(21-48)29-11-3-4-15-42-29/h3-11,15,19-20,23-24,41H,12-14,16-18,21-22H2,1-2H3,(H,45,49)/t23?,24-/m0/s1 OEKBASLEPPFYGI-CGAIIQECSA-N 452268 US10710986, Example 406::US11555029, No. 406 Programmed cell death 1 ligand/protein 1 0.280 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452268&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430202 440968252 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244166 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(O)(CC#N)C2)c(OC)n1 InChI=1S/C35H36Cl2N8O4/c1-48-33-28(16-39-15-21-9-10-30(46)42-21)40-17-26(43-33)24-7-3-5-22(31(24)36)23-6-4-8-25(32(23)37)27-18-41-29(34(44-27)49-2)19-45-14-12-35(47,20-45)11-13-38/h3-8,17-18,21,39,47H,9-12,14-16,19-20H2,1-2H3,(H,42,46)/t21-,35?/m0/s1 GHLSVZQJVDZIIR-YEMWWFHJSA-N 452269 US10710986, Example 407::US11555029, No. 407 Programmed cell death 1 ligand/protein 1 0.186 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452269&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430193 440968253 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244167 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C2)c2ncccn2)c(OC)n1 InChI=1S/C37H37Cl2N9O3/c1-50-36-30(17-40-16-23-10-11-32(49)45-23)43-18-28(46-36)26-8-3-6-24(33(26)38)25-7-4-9-27(34(25)39)29-19-44-31(37(47-29)51-2)21-48-15-12-22(20-48)35-41-13-5-14-42-35/h3-9,13-14,18-19,22-23,40H,10-12,15-17,20-21H2,1-2H3,(H,45,49)/t22?,23-/m0/s1 DYRNBMSOVWTATN-WCSIJFPASA-N 452270 US10710986, Example 408::US11555029, No. 408 Programmed cell death 1 ligand/protein 1 0.139 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452270&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430406 440968254 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244168 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C2)C2CCCO2)c(OC)n1 InChI=1S/C37H41Cl2N7O4/c1-48-36-30(17-40-16-23-11-12-33(47)43-23)41-18-28(44-36)26-8-3-6-24(34(26)38)25-7-4-9-27(35(25)39)29-19-42-31(37(45-29)49-2)21-46-14-13-22(20-46)32-10-5-15-50-32/h3-4,6-9,18-19,22-23,32,40H,5,10-17,20-21H2,1-2H3,(H,43,47)/t22?,23-,32?/m0/s1 MDWIMEZFOAHXGE-HOEDSTDZSA-N 452271 US10710986, Example 409::US11555029, No. 409 Programmed cell death 1 ligand/protein 1 0.124 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452271&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430410 440968255 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244169 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C2)c2ccncc2)c(OC)n1 InChI=1S/C38H38Cl2N8O3/c1-50-37-32(18-42-17-25-9-10-34(49)45-25)43-19-30(46-37)28-7-3-5-26(35(28)39)27-6-4-8-29(36(27)40)31-20-44-33(38(47-31)51-2)22-48-16-13-24(21-48)23-11-14-41-15-12-23/h3-8,11-12,14-15,19-20,24-25,42H,9-10,13,16-18,21-22H2,1-2H3,(H,45,49)/t24?,25-/m0/s1 HUOXLMXOGKCABU-BBMPLOMVSA-N 452272 US10710986, Example 410::US11555029, No. 410 Programmed cell death 1 ligand/protein 1 0.316 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452272&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430407 440968256 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244170 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C2)C2CCOC2)c(OC)n1 InChI=1S/C37H41Cl2N7O4/c1-48-36-31(16-40-15-24-9-10-33(47)43-24)41-17-29(44-36)27-7-3-5-25(34(27)38)26-6-4-8-28(35(26)39)30-18-42-32(37(45-30)49-2)20-46-13-11-22(19-46)23-12-14-50-21-23/h3-8,17-18,22-24,40H,9-16,19-21H2,1-2H3,(H,43,47)/t22?,23?,24-/m0/s1 NXCYCLAKQSMJJC-VHYCJAOWSA-N 452273 US10710986, Example 411::US11555029, No. 411 Programmed cell death 1 ligand/protein 1 0.321 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452273&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430399 440968257 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244171 COc1nc(cnc1CNCCc1cncc(O)c1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C36H36Cl2N8O4/c1-49-35-30(17-39-12-11-21-13-23(47)16-40-14-21)42-19-28(45-35)26-7-3-5-24(33(26)37)25-6-4-8-27(34(25)38)29-20-43-31(36(46-29)50-2)18-41-15-22-9-10-32(48)44-22/h3-8,13-14,16,19-20,22,39,41,47H,9-12,15,17-18H2,1-2H3,(H,44,48)/t22-/m0/s1 JJZXFZRYAVBKOY-QFIPXVFZSA-N 452274 US10710986, Example 412::US11555029, No. 412 Programmed cell death 1 ligand/protein 1 0.187 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452274&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430412 440968258 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244172 COc1nc(cnc1CNCC(O)CN1CCCC1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C36H42Cl2N8O4/c1-49-35-30(17-39-15-22-11-12-32(48)43-22)41-19-28(44-35)26-9-5-7-24(33(26)37)25-8-6-10-27(34(25)38)29-20-42-31(36(45-29)50-2)18-40-16-23(47)21-46-13-3-4-14-46/h5-10,19-20,22-23,39-40,47H,3-4,11-18,21H2,1-2H3,(H,43,48)/t22-,23?/m0/s1 HJYGVTLMCBBXGA-NQCNTLBGSA-N 452275 US10710986, Example 413::US11555029, No. 413 Programmed cell death 1 ligand/protein 1 0.162 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452275&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430401 440968259 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244173 COc1ccnc2CN(Cc3ncc(nc3OC)-c3cccc(c3Cl)-c3cccc(c3Cl)-c3cnc(CNC[C@@H]4CCC(=O)N4)c(OC)n3)Cc12 InChI=1S/C37H36Cl2N8O4/c1-49-32-12-13-41-30-19-47(18-26(30)32)20-31-37(51-3)46-28(17-43-31)25-9-5-7-23(35(25)39)22-6-4-8-24(34(22)38)27-16-42-29(36(45-27)50-2)15-40-14-21-10-11-33(48)44-21/h4-9,12-13,16-17,21,40H,10-11,14-15,18-20H2,1-3H3,(H,44,48)/t21-/m0/s1 RZHWJWOEPNEKGE-NRFANRHFSA-N 452276 US10710986, Example 414::US11555029, No. 414 Programmed cell death 1 ligand/protein 1 0.559 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452276&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430413 440968260 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244174 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC2CCN(CC2)C(=O)c2ccoc2)c(OC)n1 InChI=1S/C39H40Cl2N8O5/c1-52-37-32(18-42-17-25-9-10-34(50)46-25)44-19-30(47-37)28-7-3-5-26(35(28)40)27-6-4-8-29(36(27)41)31-20-45-33(38(48-31)53-2)21-43-24-11-14-49(15-12-24)39(51)23-13-16-54-22-23/h3-8,13,16,19-20,22,24-25,42-43H,9-12,14-15,17-18,21H2,1-2H3,(H,46,50)/t25-/m0/s1 LJEXNRNDZHTXGA-VWLOTQADSA-N 452277 US10710986, Example 415::US11555029, No. 415 Programmed cell death 1 ligand/protein 1 0.195 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452277&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429895 440968261 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244175 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC2CCN(C)C(=O)C2)c(OC)n1 InChI=1S/C35H38Cl2N8O4/c1-45-13-12-20(14-31(45)47)39-19-29-35(49-3)44-27(18-41-29)25-9-5-7-23(33(25)37)22-6-4-8-24(32(22)36)26-17-40-28(34(43-26)48-2)16-38-15-21-10-11-30(46)42-21/h4-9,17-18,20-21,38-39H,10-16,19H2,1-3H3,(H,42,46)/t20?,21-/m0/s1 JDGXLYIZSPRSAQ-LBAQZLPGSA-N 452278 US10710986, Example 416::US11555029, No. 416 Programmed cell death 1 ligand/protein 1 0.140 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452278&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429894 440968262 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244176 COc1nc(cnc1CNCCc1ccccn1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C36H36Cl2N8O3/c1-48-35-30(18-39-16-14-22-7-3-4-15-41-22)42-20-28(45-35)26-10-5-8-24(33(26)37)25-9-6-11-27(34(25)38)29-21-43-31(36(46-29)49-2)19-40-17-23-12-13-32(47)44-23/h3-11,15,20-21,23,39-40H,12-14,16-19H2,1-2H3,(H,44,47)/t23-/m0/s1 GNXUBISQEHISLH-QHCPKHFHSA-N 452279 US10710986, Example 417::US11555029, No. 417 Programmed cell death 1 ligand/protein 1 0.196 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452279&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429890 440968263 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244177 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCc2ccccn2)c(OC)n1 InChI=1S/C35H34Cl2N8O3/c1-47-34-29(17-38-15-21-7-3-4-14-40-21)41-19-27(44-34)25-10-5-8-23(32(25)36)24-9-6-11-26(33(24)37)28-20-42-30(35(45-28)48-2)18-39-16-22-12-13-31(46)43-22/h3-11,14,19-20,22,38-39H,12-13,15-18H2,1-2H3,(H,43,46)/t22-/m0/s1 FSYWFVXFSBZPEI-QFIPXVFZSA-N 452280 US10710986, Example 418::US11555029, No. 418 Programmed cell death 1 ligand/protein 1 0.219 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452280&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429891 440968264 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244178 COc1nc(cnc1CNCCCc1nc2ccccc2[nH]1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 452281 US10710986, Example 419::US11555029, No. 419 Programmed cell death 1 ligand/protein 1 0.542 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452281&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429896 440968265 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244179 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCc2ncccn2)c(OC)n1 InChI=1S/C34H33Cl2N9O3/c1-47-33-27(15-37-14-20-10-11-30(46)43-20)41-17-25(44-33)23-8-3-6-21(31(23)35)22-7-4-9-24(32(22)36)26-18-42-28(34(45-26)48-2)16-38-19-29-39-12-5-13-40-29/h3-9,12-13,17-18,20,37-38H,10-11,14-16,19H2,1-2H3,(H,43,46)/t20-/m0/s1 BHXPIQVEPQNVRV-FQEVSTJZSA-N 452282 US10710986, Example 420::US11555029, No. 420 Programmed cell death 1 ligand/protein 1 0.449 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452282&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429892 440968266 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244180 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC2(CC2)c2ccccn2)c(OC)n1 InChI=1S/C37H36Cl2N8O3/c1-49-35-29(18-40-17-22-12-13-32(48)45-22)42-19-27(46-35)25-9-5-7-23(33(25)38)24-8-6-10-26(34(24)39)28-20-43-30(36(47-28)50-2)21-44-37(14-15-37)31-11-3-4-16-41-31/h3-11,16,19-20,22,40,44H,12-15,17-18,21H2,1-2H3,(H,45,48)/t22-/m0/s1 JAWDVYDDISBICS-QFIPXVFZSA-N 452283 US10710986, Example 421::US11555029, No. 421 Programmed cell death 1 ligand/protein 1 0.603 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452283&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429893 440968267 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244181 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCc2ccncc2)c(OC)n1 InChI=1S/C35H34Cl2N8O3/c1-47-34-29(17-39-15-21-11-13-38-14-12-21)41-19-27(44-34)25-7-3-5-23(32(25)36)24-6-4-8-26(33(24)37)28-20-42-30(35(45-28)48-2)18-40-16-22-9-10-31(46)43-22/h3-8,11-14,19-20,22,39-40H,9-10,15-18H2,1-2H3,(H,43,46)/t22-/m0/s1 KBSNVNMFPCKTBO-QFIPXVFZSA-N 452284 US10710986, Example 422::US11555029, No. 422 Programmed cell death 1 ligand/protein 1 0.554 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452284&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430077 440968268 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244182 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2C[C@H](O)C[C@H]2CO)c(OC)n1 InChI=1S/C34H37Cl2N7O5/c1-47-33-28(13-37-12-19-9-10-30(46)40-19)38-14-26(41-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-15-39-29(34(42-27)48-2)17-43-16-21(45)11-20(43)18-44/h3-8,14-15,19-21,37,44-45H,9-13,16-18H2,1-2H3,(H,40,46)/t19-,20-,21+/m0/s1 DUZNIDHNEPRDEO-PCCBWWKXSA-N 452285 US10710986, Example 423::US11555029, No. 423 Programmed cell death 1 ligand/protein 1 0.237 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452285&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430080 440968269 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244183 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC2(CC2)c2cccnc2)c(OC)n1 InChI=1S/C37H36Cl2N8O3/c1-49-35-30(18-41-17-23-11-12-32(48)45-23)42-19-28(46-35)26-9-3-7-24(33(26)38)25-8-4-10-27(34(25)39)29-20-43-31(36(47-29)50-2)21-44-37(13-14-37)22-6-5-15-40-16-22/h3-10,15-16,19-20,23,41,44H,11-14,17-18,21H2,1-2H3,(H,45,48)/t23-/m0/s1 JRGXOHCMYPGYJQ-QHCPKHFHSA-N 452286 US10710986, Example 424::US11555029, No. 424 Programmed cell death 1 ligand/protein 1 0.617 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452286&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430083 440968270 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244184 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCc2cccnc2)c(OC)n1 InChI=1S/C35H34Cl2N8O3/c1-47-34-29(17-39-15-21-6-5-13-38-14-21)41-19-27(44-34)25-9-3-7-23(32(25)36)24-8-4-10-26(33(24)37)28-20-42-30(35(45-28)48-2)18-40-16-22-11-12-31(46)43-22/h3-10,13-14,19-20,22,39-40H,11-12,15-18H2,1-2H3,(H,43,46)/t22-/m0/s1 KFVWCBDZIYCZLA-QFIPXVFZSA-N 452287 US10710986, Example 425::US11555029, No. 425 Programmed cell death 1 ligand/protein 1 0.414 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452287&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430084 440968271 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244185 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2(O)CC2)c(OC)n1 InChI=1S/C33H35Cl2N7O4/c1-45-31-26(14-36-13-19-9-10-28(43)40-19)38-16-24(41-31)22-7-3-5-20(29(22)34)21-6-4-8-23(30(21)35)25-17-39-27(32(42-25)46-2)15-37-18-33(44)11-12-33/h3-8,16-17,19,36-37,44H,9-15,18H2,1-2H3,(H,40,43)/t19-/m0/s1 BOWYSUUAVQIHKZ-IBGZPJMESA-N 452288 US10710986, Example 426::US11555029, No. 426 Programmed cell death 1 ligand/protein 1 0.273 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452288&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430078 440968272 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244186 CO[C@@H]1CCN(Cc2ncc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CNC[C@@H]3CCC(=O)N3)c(OC)n2)C1 InChI=1S/C34H37Cl2N7O4/c1-45-21-12-13-43(18-21)19-29-34(47-3)42-27(17-39-29)25-9-5-7-23(32(25)36)22-6-4-8-24(31(22)35)26-16-38-28(33(41-26)46-2)15-37-14-20-10-11-30(44)40-20/h4-9,16-17,20-21,37H,10-15,18-19H2,1-3H3,(H,40,44)/t20-,21+/m0/s1 POWGGMZTIKNAFC-LEWJYISDSA-N 452289 US10710986, Example 427::US11555029, No. 427 Programmed cell death 1 ligand/protein 1 0.136 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452289&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430081 440968273 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244187 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC(CO)(CO)CO)c(OC)n1 InChI=1S/C33H37Cl2N7O6/c1-47-31-26(12-36-11-19-9-10-28(46)40-19)37-13-24(41-31)22-7-3-5-20(29(22)34)21-6-4-8-23(30(21)35)25-14-38-27(32(42-25)48-2)15-39-33(16-43,17-44)18-45/h3-8,13-14,19,36,39,43-45H,9-12,15-18H2,1-2H3,(H,40,46)/t19-/m0/s1 MWKGOKHWGJQGOQ-IBGZPJMESA-N 452290 US10710986, Example 428::US11555029, No. 428 Programmed cell death 1 ligand/protein 1 0.272 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452290&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430079 440968274 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244188 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2(CC2)C#N)c(OC)n1 InChI=1S/C34H34Cl2N8O3/c1-46-32-27(14-38-13-20-9-10-29(45)42-20)40-16-25(43-32)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-17-41-28(33(44-26)47-2)15-39-19-34(18-37)11-12-34/h3-8,16-17,20,38-39H,9-15,19H2,1-2H3,(H,42,45)/t20-/m0/s1 IPDHFVWQLWVQFD-FQEVSTJZSA-N 452291 US10710986, Example 429::US11555029, No. 429 Programmed cell death 1 ligand/protein 1 0.349 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452291&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430082 440968275 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244189 CO[C@H]1CCN(Cc2ncc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CNC[C@@H]3CCC(=O)N3)c(OC)n2)C1 InChI=1S/C34H37Cl2N7O4/c1-45-21-12-13-43(18-21)19-29-34(47-3)42-27(17-39-29)25-9-5-7-23(32(25)36)22-6-4-8-24(31(22)35)26-16-38-28(33(41-26)46-2)15-37-14-20-10-11-30(44)40-20/h4-9,16-17,20-21,37H,10-15,18-19H2,1-3H3,(H,40,44)/t20-,21-/m0/s1 POWGGMZTIKNAFC-SFTDATJTSA-N 452292 US10710986, Example 430::US11555029, No. 430 Programmed cell death 1 ligand/protein 1 0.071 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452292&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429909 440968276 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244190 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@H](O)C2)c(OC)n1 InChI=1S/C33H35Cl2N7O4/c1-45-32-27(14-36-13-19-9-10-29(44)39-19)37-15-25(40-32)23-7-3-5-21(30(23)34)22-6-4-8-24(31(22)35)26-16-38-28(33(41-26)46-2)18-42-12-11-20(43)17-42/h3-8,15-16,19-20,36,43H,9-14,17-18H2,1-2H3,(H,39,44)/t19-,20-/m0/s1 ZIAPZBVXWPZBND-PMACEKPBSA-N 452293 US10710986, Example 431::US11555029, No. 431 Programmed cell death 1 ligand/protein 1 0.124 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452293&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429910 440968277 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244191 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@](O)(CF)C2)c(OC)n1 InChI=1S/C34H36Cl2FN7O4/c1-47-32-27(14-38-13-19-9-10-29(45)42-19)40-15-25(43-32)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-16-41-28(33(44-26)48-2)17-39-20-11-34(46,12-20)18-37/h3-8,15-16,19-20,38-39,46H,9-14,17-18H2,1-2H3,(H,42,45)/t19-,20-,34+/m0/s1 QCQMJHXKDPQCOA-NZWIATRBSA-N 452294 US10710986, Example 432::US11555029, No. 432 Programmed cell death 1 ligand/protein 1 0.084 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452294&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429911 440968278 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244192 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2OCCO2)c(OC)n1 InChI=1S/C33H35Cl2N7O5/c1-44-32-26(14-36-13-19-9-10-28(43)40-19)38-16-24(41-32)22-7-3-5-20(30(22)34)21-6-4-8-23(31(21)35)25-17-39-27(33(42-25)45-2)15-37-18-29-46-11-12-47-29/h3-8,16-17,19,29,36-37H,9-15,18H2,1-2H3,(H,40,43)/t19-/m0/s1 YSERVVLVAVTTFG-IBGZPJMESA-N 452295 US10710986, Example 433::US11555029, No. 433 Programmed cell death 1 ligand/protein 1 0.259 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452295&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429907 440968279 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244193 COc1nc(cnc1CNCC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C36H40Cl2N8O4/c1-49-35-29(17-39-15-13-21-9-11-31(47)43-21)41-19-27(45-35)25-7-3-5-23(33(25)37)24-6-4-8-26(34(24)38)28-20-42-30(36(46-28)50-2)18-40-16-14-22-10-12-32(48)44-22/h3-8,19-22,39-40H,9-18H2,1-2H3,(H,43,47)(H,44,48)/t21-,22-/m0/s1 JVBXLJSRNMBYLW-VXKWHMMOSA-N 452296 US10710986, Example 434::US11555029, No. 434 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452296&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429912 440968280 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244194 COc1nc(cnc1CNC[C@@H]1CNC(=O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-12-19-11-30(46)41-13-19)39-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-40-28(34(44-26)48-2)16-38-14-20-9-10-29(45)42-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,41,46)(H,42,45)/t19-,20+/m1/s1 AXELLLFWZFCYIP-UXHICEINSA-N 452297 US10710986, Example 435::US11555029, No. 435 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452297&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429908 440968281 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244195 COc1nc(ccc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN)c(OC)n1 InChI=1S/C25H23Cl2N5O2/c1-33-24-14(11-28)9-10-19(31-24)17-7-3-5-15(22(17)26)16-6-4-8-18(23(16)27)21-13-30-20(12-29)25(32-21)34-2/h3-10,13H,11-12,28-29H2,1-2H3 DHIQSVMXGAOOJD-UHFFFAOYSA-N 452298 US10710986, Example 436::US11555029, No. 436 Programmed cell death 1 ligand/protein 1 5.46 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452298&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429906 440968282 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244196 COc1nc(ccc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(OC)n1 InChI=1S/C37H37Cl2N7O4/c1-49-34-22(14-45-18-36(19-45)11-30(47)41-16-36)9-10-27(43-34)25-7-3-5-23(32(25)38)24-6-4-8-26(33(24)39)28-13-40-29(35(44-28)50-2)15-46-20-37(21-46)12-31(48)42-17-37/h3-10,13H,11-12,14-21H2,1-2H3,(H,41,47)(H,42,48) OHCOSVLZERXBOK-UHFFFAOYSA-N 452299 US10710986, Example 437::US11555029, No. 437 Programmed cell death 1 ligand/protein 1 0.086 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452299&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430327 440968283 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244197 COC1CN(Cc2ccc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CN3CC(C3)OC)c(OC)n2)C1 InChI=1S/C33H35Cl2N5O4/c1-41-21-15-39(16-21)14-20-11-12-27(37-32(20)43-3)25-9-5-7-23(30(25)34)24-8-6-10-26(31(24)35)28-13-36-29(33(38-28)44-4)19-40-17-22(18-40)42-2/h5-13,21-22H,14-19H2,1-4H3 GSHFAPGYPPIOIG-UHFFFAOYSA-N 452300 US10710986, Example 438::US11555029, No. 438 Programmed cell death 1 ligand/protein 1 1.34 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452300&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139416273 440968284 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244198 COc1nc(ccc1CN1CC(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(O)C2)c(OC)n1 InChI=1S/C31H31Cl2N5O4/c1-41-30-18(12-37-13-19(39)14-37)9-10-25(35-30)23-7-3-5-21(28(23)32)22-6-4-8-24(29(22)33)26-11-34-27(31(36-26)42-2)17-38-15-20(40)16-38/h3-11,19-20,39-40H,12-17H2,1-2H3 VGSLZDCOTXTWJK-UHFFFAOYSA-N 452301 US10710986, Example 439::US11555029, No. 439 Programmed cell death 1 ligand/protein 1 0.646 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452301&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430326 440968285 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244199 COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)cn1 InChI=1S/C34H35Cl2N7O3/c1-46-34-20(14-37-15-21-9-12-30(44)41-21)8-11-28(43-34)26-6-2-4-24(32(26)35)25-5-3-7-27(33(25)36)29-19-39-23(18-40-29)17-38-16-22-10-13-31(45)42-22/h2-8,11,18-19,21-22,37-38H,9-10,12-17H2,1H3,(H,41,44)(H,42,45)/t21-,22-/m0/s1 OMUVPVUVRMFVRH-VXKWHMMOSA-N 452302 US10710986, Example 440::US11555029, No. 440 Programmed cell death 1 ligand/protein 1 1.87 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452302&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430330 440968286 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244200 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C2)c2cn[nH]c2)c(OC)n1 452303 US10710986, Example 441::US11555029, No. 441 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452303&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430331 440968287 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244201 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C)(CO)C2)c(OC)n1 InChI=1S/C35H39Cl2N7O4/c1-35(20-45)12-13-44(19-35)18-29-34(48-3)43-27(17-40-29)25-9-5-7-23(32(25)37)22-6-4-8-24(31(22)36)26-16-39-28(33(42-26)47-2)15-38-14-21-10-11-30(46)41-21/h4-9,16-17,21,38,45H,10-15,18-20H2,1-3H3,(H,41,46)/t21-,35?/m0/s1 QSNPTWRJXCXGER-YEMWWFHJSA-N 452304 US10710986, Example 442::US11555029, No. 442 Programmed cell death 1 ligand/protein 1 0.146 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452304&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430329 440968288 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244202 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C)(C2)OC)c(OC)n1 InChI=1S/C35H39Cl2N7O4/c1-35(48-4)13-14-44(20-35)19-29-34(47-3)43-27(18-40-29)25-10-6-8-23(32(25)37)22-7-5-9-24(31(22)36)26-17-39-28(33(42-26)46-2)16-38-15-21-11-12-30(45)41-21/h5-10,17-18,21,38H,11-16,19-20H2,1-4H3,(H,41,45)/t21-,35?/m0/s1 DQDTXYRWTJCHEV-YEMWWFHJSA-N 452305 US10710986, Example 443::US11555029, No. 443 Programmed cell death 1 ligand/protein 1 0.246 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452305&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430328 440968289 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244203 COc1nc(cnc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(OC)n1 InChI=1S/C34H35Cl2N7O4/c1-33(45)16-42(17-33)13-26-31(46-2)40-24(11-37-26)22-8-4-6-20(29(22)35)21-7-5-9-23(30(21)36)25-12-38-27(32(41-25)47-3)14-43-18-34(19-43)10-28(44)39-15-34/h4-9,11-12,45H,10,13-19H2,1-3H3,(H,39,44) BXFFWPACKYBABX-UHFFFAOYSA-N 452306 US10710986, Example 444::US11555029, No. 444 Programmed cell death 1 ligand/protein 1 0.074 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452306&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429447 440968290 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244204 COc1nc(cnc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CCC(=O)N3)c(OC)n1 InChI=1S/C34H35Cl2N7O4/c1-33(45)16-42(17-33)14-26-31(46-2)39-24(12-37-26)22-8-4-6-20(29(22)35)21-7-5-9-23(30(21)36)25-13-38-27(32(40-25)47-3)15-43-18-34(19-43)11-10-28(44)41-34/h4-9,12-13,45H,10-11,14-19H2,1-3H3,(H,41,44) PUXLMKLRNMBLGF-UHFFFAOYSA-N 452307 US10710986, Example 445::US11555029, No. 445 Programmed cell death 1 ligand/protein 1 0.069 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452307&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429450 440968291 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244205 COc1nc(cnc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(O)C2)c(OC)n1 InChI=1S/C33H35Cl2N7O4/c1-33(44)17-42(18-33)16-27-32(46-3)41-25(15-38-27)23-9-5-7-21(30(23)35)20-6-4-8-22(29(20)34)24-14-37-26(31(40-24)45-2)13-36-12-19-10-11-28(43)39-19/h4-9,14-15,19,36,44H,10-13,16-18H2,1-3H3,(H,39,43)/t19-/m1/s1 YEUJAOUEWZLHQU-LJQANCHMSA-N 452308 US10710986, Example 446::US11555029, No. 446 Programmed cell death 1 ligand/protein 1 0.138 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452308&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429453 440968292 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244206 COc1nc(cnc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CN(C3)C(C)=O)c(OC)n1 InChI=1S/C35H37Cl2N7O4/c1-21(45)44-19-35(20-44)17-43(18-35)14-29-33(48-4)41-27(12-39-29)25-10-6-8-23(31(25)37)22-7-5-9-24(30(22)36)26-11-38-28(32(40-26)47-3)13-42-15-34(2,46)16-42/h5-12,46H,13-20H2,1-4H3 SLBIQJHMMNTIDW-UHFFFAOYSA-N 452309 US10710986, Example 447::US11555029, No. 447 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452309&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457589 440968293 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244207 COc1nc(cnc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](CO)C2)c(OC)n1 InChI=1S/C33H36Cl2N6O4/c1-33(43)18-41(19-33)16-28-32(45-3)39-26(13-37-28)24-9-5-7-22(30(24)35)21-6-4-8-23(29(21)34)25-12-36-27(31(38-25)44-2)15-40-11-10-20(14-40)17-42/h4-9,12-13,20,42-43H,10-11,14-19H2,1-3H3/t20-/m1/s1 HCEIASWRTUUJNK-HXUWFJFHSA-N 452310 US10710986, Example 448::US11555029, No. 448 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452310&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429452 440968294 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244208 COc1nc(cnc1CNCCO)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(O)C2)c(OC)n1 InChI=1S/C30H32Cl2N6O4/c1-30(40)16-38(17-30)15-25-29(42-3)37-23(14-35-25)21-9-5-7-19(27(21)32)18-6-4-8-20(26(18)31)22-13-34-24(12-33-10-11-39)28(36-22)41-2/h4-9,13-14,33,39-40H,10-12,15-17H2,1-3H3 LDZHEIWSTDAPHU-UHFFFAOYSA-N 452311 US10710986, Example 449::US11555029, No. 449 Programmed cell death 1 ligand/protein 1 0.285 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452311&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429454 440968295 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244209 COc1nc(cnc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CCC(=O)N4)cn(C)c2c1 InChI=1S/C39H38Cl2N8O3/c1-47-16-24(17-48-19-38(20-48)11-9-32(50)45-38)36-31(47)13-23(14-43-36)25-5-3-6-26(34(25)40)27-7-4-8-28(35(27)41)29-15-42-30(37(44-29)52-2)18-49-21-39(22-49)12-10-33(51)46-39/h3-8,13-16H,9-12,17-22H2,1-2H3,(H,45,50)(H,46,51) BJUICITUCXCEGJ-UHFFFAOYSA-N 452312 US10710986, Example 450::US11555029, No. 450 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452312&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429461 440968296 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244210 COc1nc(cnc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CN(C4)C(C)=O)cn(C)c2c1 InChI=1S/C41H42Cl2N8O3/c1-25(52)50-21-40(22-50)17-48(18-40)15-28-14-47(3)35-11-27(12-45-38(28)35)29-7-5-8-30(36(29)42)31-9-6-10-32(37(31)43)33-13-44-34(39(46-33)54-4)16-49-19-41(20-49)23-51(24-41)26(2)53/h5-14H,15-24H2,1-4H3 COSVCKNPPQQFEC-UHFFFAOYSA-N 452313 US10710986, Example 451::US11555029, No. 451 Programmed cell death 1 ligand/protein 1 0.101 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452313&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457682 440968297 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244211 CCC(=O)NC1CCN(Cc2ncc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CNC[C@@H]3CCC(=O)N3)c(OC)n2)C1 InChI=1S/C36H40Cl2N8O4/c1-4-31(47)43-22-13-14-46(19-22)20-30-36(50-3)45-28(18-41-30)26-10-6-8-24(34(26)38)23-7-5-9-25(33(23)37)27-17-40-29(35(44-27)49-2)16-39-15-21-11-12-32(48)42-21/h5-10,17-18,21-22,39H,4,11-16,19-20H2,1-3H3,(H,42,48)(H,43,47)/t21-,22?/m0/s1 CAZJDCJTUYHAGD-HMTLIYDFSA-N 452314 US10710986, Example 452::US11555029, No. 452 Programmed cell death 1 ligand/protein 1 0.086 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452314&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429464 440968298 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244212 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCCC2(C)CO)c(OC)n1 InChI=1S/C35H39Cl2N7O4/c1-35(20-45)13-6-14-44(35)19-29-34(48-3)43-27(18-40-29)25-10-5-8-23(32(25)37)22-7-4-9-24(31(22)36)26-17-39-28(33(42-26)47-2)16-38-15-21-11-12-30(46)41-21/h4-5,7-10,17-18,21,38,45H,6,11-16,19-20H2,1-3H3,(H,41,46)/t21-,35?/m0/s1 MYEPSDUAHKBPND-YEMWWFHJSA-N 452315 US10710986, Example 453::US11555029, No. 453 Programmed cell death 1 ligand/protein 1 0.139 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452315&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429466 440968299 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244213 COc1nc(cnc1CNCCOC(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCCOC(N)=O)c(OC)n1 InChI=1S/C30H32Cl2N8O6/c1-43-27-23(13-35-9-11-45-29(33)41)37-15-21(39-27)19-7-3-5-17(25(19)31)18-6-4-8-20(26(18)32)22-16-38-24(28(40-22)44-2)14-36-10-12-46-30(34)42/h3-8,15-16,35-36H,9-14H2,1-2H3,(H2,33,41)(H2,34,42) MKDDQEMUVNZHSV-UHFFFAOYSA-N 452316 US10710986, Example 454::US11555029, No. 454 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452316&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429462 440968300 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244214 COc1nc(cnc1CNCc1cnn(CCO)c1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCc2cnn(CCO)c2)c(OC)n1 InChI=1S/C36H38Cl2N10O4/c1-51-35-31(17-39-13-23-15-43-47(21-23)9-11-49)41-19-29(45-35)27-7-3-5-25(33(27)37)26-6-4-8-28(34(26)38)30-20-42-32(36(46-30)52-2)18-40-14-24-16-44-48(22-24)10-12-50/h3-8,15-16,19-22,39-40,49-50H,9-14,17-18H2,1-2H3 OKQGUSACVYNHSL-UHFFFAOYSA-N 452317 US10710986, Example 455::US11555029, No. 455 Programmed cell death 1 ligand/protein 1 0.145 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452317&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457590 440968301 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244215 COc1nc(cnc1CNCc1cn[nH]c1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCc2cn[nH]c2)c(OC)n1 InChI=1S/C32H30Cl2N10O2/c1-45-31-27(15-35-9-19-11-39-40-12-19)37-17-25(43-31)23-7-3-5-21(29(23)33)22-6-4-8-24(30(22)34)26-18-38-28(32(44-26)46-2)16-36-10-20-13-41-42-14-20/h3-8,11-14,17-18,35-36H,9-10,15-16H2,1-2H3,(H,39,40)(H,41,42) IGDKXSNOJMPVMR-UHFFFAOYSA-N 452318 US10710986, Example 456::US11555029, No. 456 Programmed cell death 1 ligand/protein 1 0.186 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452318&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429465 440968302 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244216 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(CC2)[C@H](C)O)c(OC)n1 InChI=1S/C36H41Cl2N7O4/c1-21(46)22-12-14-45(15-13-22)20-31-36(49-3)44-29(19-41-31)27-9-5-7-25(34(27)38)24-6-4-8-26(33(24)37)28-18-40-30(35(43-28)48-2)17-39-16-23-10-11-32(47)42-23/h4-9,18-19,21-23,39,46H,10-17,20H2,1-3H3,(H,42,47)/t21-,23-/m0/s1 HBDXLUHVVUUFSA-GMAHTHKFSA-N 452319 US10710986, Example 457::US11555029, No. 457 Programmed cell death 1 ligand/protein 1 0.172 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452319&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430344 440968303 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244217 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2CC[C@H](C2)C#N)c(OC)n1 InChI=1S/C35H36Cl2N8O3/c1-47-34-29(16-39-15-22-11-12-31(46)43-22)41-17-27(44-34)25-7-3-5-23(32(25)36)24-6-4-8-26(33(24)37)28-18-42-30(35(45-28)48-2)19-40-21-10-9-20(13-21)14-38/h3-8,17-18,20-22,39-40H,9-13,15-16,19H2,1-2H3,(H,43,46)/t20-,21+,22+/m1/s1 OGWQZULGODPZFO-FSSWDIPSSA-N 452320 US10710986, Example 458::US11555029, No. 458 Programmed cell death 1 ligand/protein 1 0.087 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452320&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430345 440968304 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244218 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN(C)C[C@H]2C[C@H](O)C2)c(OC)n1 InChI=1S/C35H39Cl2N7O4/c1-44(18-20-12-22(45)13-20)19-30-35(48-3)43-28(17-40-30)26-9-5-7-24(33(26)37)23-6-4-8-25(32(23)36)27-16-39-29(34(42-27)47-2)15-38-14-21-10-11-31(46)41-21/h4-9,16-17,20-22,38,45H,10-15,18-19H2,1-3H3,(H,41,46)/t20-,21-,22-/m0/s1 YQUDIVARYXQPNH-FKBYEOEOSA-N 452321 US10710986, Example 459::US11555029, No. 459 Programmed cell death 1 ligand/protein 1 0.344 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452321&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430346 440968305 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244219 COCC1(CO)CCN(Cc2ncc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CN3CCC(CO)(COC)C3)c(OC)n2)C1 InChI=1S/C38H46Cl2N6O6/c1-49-23-37(21-47)11-13-45(19-37)17-31-35(51-3)43-29(15-41-31)27-9-5-7-25(33(27)39)26-8-6-10-28(34(26)40)30-16-42-32(36(44-30)52-4)18-46-14-12-38(20-46,22-48)24-50-2/h5-10,15-16,47-48H,11-14,17-24H2,1-4H3 XAOFIUSZTPHWTR-UHFFFAOYSA-N 452322 US10710986, Example 460::US11555029, No. 460 Programmed cell death 1 ligand/protein 1 0.157 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452322&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430349 440968306 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244220 COc1nc(cnc1CNCCc1nnc[nH]1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 452323 US10710986, Example 461::US11555029, No. 461 Programmed cell death 1 ligand/protein 1 0.159 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452323&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430350 440968307 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244221 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C2)c2nnc[nH]2)c(OC)n1 452324 US10710986, Example 462::US11555029, No. 462 Programmed cell death 1 ligand/protein 1 0.346 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452324&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430351 440968308 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244222 COCC1(CO)CCN(Cc2ncc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CNC[C@@H]3CCC(=O)N3)c(OC)n2)C1 InChI=1S/C36H41Cl2N7O5/c1-48-21-36(20-46)12-13-45(19-36)18-30-35(50-3)44-28(17-41-30)26-9-5-7-24(33(26)38)23-6-4-8-25(32(23)37)27-16-40-29(34(43-27)49-2)15-39-14-22-10-11-31(47)42-22/h4-9,16-17,22,39,46H,10-15,18-21H2,1-3H3,(H,42,47)/t22-,36?/m0/s1 QFOJSDSPMHGRHF-SABIYNJPSA-N 452325 US10710986, Example 463::US11555029, No. 463 Programmed cell death 1 ligand/protein 1 0.076 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452325&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430352 440968309 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244223 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@H](C2)C(N)=O)c(OC)n1 InChI=1S/C34H36Cl2N8O4/c1-47-33-27(14-38-13-19-9-10-29(45)42-19)40-15-25(43-33)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-16-41-28(34(44-26)48-2)17-39-20-11-18(12-20)32(37)46/h3-8,15-16,18-20,38-39H,9-14,17H2,1-2H3,(H2,37,46)(H,42,45)/t18-,19-,20+/m0/s1 PQFCMBOKCAMWBO-SLFFLAALSA-N 452326 US10710986, Example 464::US11555029, No. 464 Programmed cell death 1 ligand/protein 1 0.110 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452326&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430196 440968310 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244224 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@@H](C2)C(N)=O)c(OC)n1 InChI=1S/C34H36Cl2N8O4/c1-47-33-27(14-38-13-19-9-10-29(45)42-19)40-15-25(43-33)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-16-41-28(34(44-26)48-2)17-39-20-11-18(12-20)32(37)46/h3-8,15-16,18-20,38-39H,9-14,17H2,1-2H3,(H2,37,46)(H,42,45)/t18-,19-,20-/m0/s1 PQFCMBOKCAMWBO-UFYCRDLUSA-N 452327 US10710986, Example 465::US11555029, No. 465 Programmed cell death 1 ligand/protein 1 0.158 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452327&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430196 440968311 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244225 COc1nc(cnc1CNC1CCN(CC1)C(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC2CCN(CC2)C(N)=O)c(OC)n1 InChI=1S/C36H42Cl2N10O4/c1-51-33-29(19-41-21-9-13-47(14-10-21)35(39)49)43-17-27(45-33)25-7-3-5-23(31(25)37)24-6-4-8-26(32(24)38)28-18-44-30(34(46-28)52-2)20-42-22-11-15-48(16-12-22)36(40)50/h3-8,17-18,21-22,41-42H,9-16,19-20H2,1-2H3,(H2,39,49)(H2,40,50) QFELRLYOTZXSFC-UHFFFAOYSA-N 452328 US10710986, Example 466::US11555029, No. 466 Programmed cell death 1 ligand/protein 1 0.073 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452328&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430200 440968312 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244226 COc1nc(cnc1CNCC1CCN(C1)C(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2CCN(C2)C(N)=O)c(OC)n1 InChI=1S/C36H42Cl2N10O4/c1-51-33-29(15-41-13-21-9-11-47(19-21)35(39)49)43-17-27(45-33)25-7-3-5-23(31(25)37)24-6-4-8-26(32(24)38)28-18-44-30(34(46-28)52-2)16-42-14-22-10-12-48(20-22)36(40)50/h3-8,17-18,21-22,41-42H,9-16,19-20H2,1-2H3,(H2,39,49)(H2,40,50) AWJQQXLWZBVIQJ-UHFFFAOYSA-N 452329 US10710986, Example 467::US11555029, No. 467 Programmed cell death 1 ligand/protein 1 0.146 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452329&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457683 440968313 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244227 CNC(=O)C1CCN(Cc2ncc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CC3CCN(C3)C(=O)NC)c(OC)n2)C1 InChI=1S/C36H40Cl2N8O4/c1-39-33(47)22-12-13-45(19-22)20-30-35(50-4)44-29(17-42-30)26-10-6-8-24(32(26)38)23-7-5-9-25(31(23)37)28-16-41-27(34(43-28)49-3)15-21-11-14-46(18-21)36(48)40-2/h5-10,16-17,21-22H,11-15,18-20H2,1-4H3,(H,39,47)(H,40,48) CPQPLYLZBHYQEY-UHFFFAOYSA-N 452330 US10710986, Example 468::US11555029, No. 468 Programmed cell death 1 ligand/protein 1 0.123 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452330&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457684 440968314 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244228 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2CCC2C)c(OC)n1 InChI=1S/C34H37Cl2N7O3/c1-19-10-12-25(19)38-18-29-34(46-3)43-27(17-40-29)24-9-5-7-22(32(24)36)21-6-4-8-23(31(21)35)26-16-39-28(33(42-26)45-2)15-37-14-20-11-13-30(44)41-20/h4-9,16-17,19-20,25,37-38H,10-15,18H2,1-3H3,(H,41,44)/t19?,20-,25+/m0/s1 ZCKNHPAZSNEXOO-XGMIRAJKSA-N 452331 US10710986, Example 469::US11555029, No. 469 Programmed cell death 1 ligand/protein 1 0.260 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452331&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430195 440968315 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244229 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC2CCN(CC2)C(N)=O)c(OC)n1 InChI=1S/C35H39Cl2N9O4/c1-49-33-28(16-39-15-21-9-10-30(47)43-21)41-17-26(44-33)24-7-3-5-22(31(24)36)23-6-4-8-25(32(23)37)27-18-42-29(34(45-27)50-2)19-40-20-11-13-46(14-12-20)35(38)48/h3-8,17-18,20-21,39-40H,9-16,19H2,1-2H3,(H2,38,48)(H,43,47)/t21-/m0/s1 XPRXDZNWYPAMTG-NRFANRHFSA-N 452332 US10710986, Example 470::US11555029, No. 470 Programmed cell death 1 ligand/protein 1 0.094 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452332&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430457 440968316 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244230 COc1nc(cnc1CNCC1CCN(C1)C(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C35H39Cl2N9O4/c1-49-33-28(15-39-13-20-11-12-46(19-20)35(38)48)41-17-26(44-33)24-7-3-5-22(31(24)36)23-6-4-8-25(32(23)37)27-18-42-29(34(45-27)50-2)16-40-14-21-9-10-30(47)43-21/h3-8,17-18,20-21,39-40H,9-16,19H2,1-2H3,(H2,38,48)(H,43,47)/t20?,21-/m0/s1 WDHZLVLYGGNOMR-LBAQZLPGSA-N 452333 US10710986, Example 471::US11555029, No. 471 Programmed cell death 1 ligand/protein 1 0.119 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452333&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430452 440968317 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244231 CNC(=O)C1CCN(Cc2ncc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CNC[C@@H]3CCC(=O)N3)c(OC)n2)C1 InChI=1S/C35H38Cl2N8O4/c1-38-33(47)20-12-13-45(18-20)19-29-35(49-3)44-27(17-41-29)25-9-5-7-23(32(25)37)22-6-4-8-24(31(22)36)26-16-40-28(34(43-26)48-2)15-39-14-21-10-11-30(46)42-21/h4-9,16-17,20-21,39H,10-15,18-19H2,1-3H3,(H,38,47)(H,42,46)/t20?,21-/m0/s1 GSXVPYSMXKYBII-LBAQZLPGSA-N 452334 US10710986, Example 472::US11555029, No. 472 Programmed cell death 1 ligand/protein 1 0.066 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452334&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457685 440968318 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244232 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2CCC(C2)C(N)=O)c(OC)n1 InChI=1S/C35H38Cl2N8O4/c1-48-34-28(15-39-14-21-11-12-30(46)43-21)41-16-26(44-34)24-7-3-5-22(31(24)36)23-6-4-8-25(32(23)37)27-17-42-29(35(45-27)49-2)18-40-20-10-9-19(13-20)33(38)47/h3-8,16-17,19-21,39-40H,9-15,18H2,1-2H3,(H2,38,47)(H,43,46)/t19?,20-,21+/m1/s1 UPWHNCJHULQION-JUODMZLFSA-N 452335 US10710986, Example 473::US11555029, No. 473 Programmed cell death 1 ligand/protein 1 0.093 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452335&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457687 440968319 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244233 COc1nc(cnc1CN1C2CC1COC2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2C3CC2COC3)c(OC)n1 InChI=1S/C34H34Cl2N6O4/c1-43-33-29(13-41-19-9-20(41)16-45-15-19)37-11-27(39-33)25-7-3-5-23(31(25)35)24-6-4-8-26(32(24)36)28-12-38-30(34(40-28)44-2)14-42-21-10-22(42)18-46-17-21/h3-8,11-12,19-22H,9-10,13-18H2,1-2H3 IVLVVDLRBVVELN-UHFFFAOYSA-N 452336 US10710986, Example 474::US11555029, No. 474 Programmed cell death 1 ligand/protein 1 0.219 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452336&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430446 440968320 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244234 COc1nc(cnc1CNC[C@H]1CNC(=O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@H]2CNC(=O)C2)c(OC)n1 InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-11-19-9-29(45)41-13-19)39-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-40-28(34(44-26)48-2)16-38-12-20-10-30(46)42-14-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,41,45)(H,42,46)/t19-,20-/m0/s1 MDVXPVVDIWUTNT-PMACEKPBSA-N 452337 US10710986, Example 475::US11555029, No. 475 Programmed cell death 1 ligand/protein 1 0.162 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452337&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430451 440968321 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244235 COc1nc(cnc1CNC[C@H]1CCC[C@@H]1O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@H]2CCC[C@@H]2O)c(OC)n1 InChI=1S/C36H42Cl2N6O4/c1-47-35-29(17-39-15-21-7-3-13-31(21)45)41-19-27(43-35)25-11-5-9-23(33(25)37)24-10-6-12-26(34(24)38)28-20-42-30(36(44-28)48-2)18-40-16-22-8-4-14-32(22)46/h5-6,9-12,19-22,31-32,39-40,45-46H,3-4,7-8,13-18H2,1-2H3/t21-,22-,31+,32+/m1/s1 NULIMLOKYQQPFW-RSOAUGTRSA-N 452338 US10710986, Example 476::US11555029, No. 476 Programmed cell death 1 ligand/protein 1 0.622 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452338&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430450 440968322 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244236 COc1nc(cnc1CN1CC2CC1(CO)C2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3CC2(CO)C3)c(OC)n1 InChI=1S/C36H38Cl2N6O4/c1-47-33-29(17-43-15-21-9-35(43,10-21)19-45)39-13-27(41-33)25-7-3-5-23(31(25)37)24-6-4-8-26(32(24)38)28-14-40-30(34(42-28)48-2)18-44-16-22-11-36(44,12-22)20-46/h3-8,13-14,21-22,45-46H,9-12,15-20H2,1-2H3 UXHNIQSVFQYLHM-UHFFFAOYSA-N 452339 US10710986, Example 477::US11555029, No. 477 Programmed cell death 1 ligand/protein 1 0.246 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452339&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430462 440968323 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244237 COc1nc(cnc1CN1CC(C1)C(C)(C)O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)C(C)(C)O)c(OC)n1 InChI=1S/C36H42Cl2N6O4/c1-35(2,45)21-15-43(16-21)19-29-33(47-5)41-27(13-39-29)25-11-7-9-23(31(25)37)24-10-8-12-26(32(24)38)28-14-40-30(34(42-28)48-6)20-44-17-22(18-44)36(3,4)46/h7-14,21-22,45-46H,15-20H2,1-6H3 UERZSDHOIILCKQ-UHFFFAOYSA-N 452340 US10710986, Example 478::US11555029, No. 478 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452340&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430471 440968324 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244238 COc1nc(cnc1CNCN1C[C@H](C)[C@@H](O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2C[C@H](C)[C@@H](O)C2)c(OC)n1 InChI=1S/C35H41Cl2N7O4/c1-20-14-43(17-30(20)45)16-29-35(48-4)42-27(13-40-29)25-10-6-8-23(33(25)37)22-7-5-9-24(32(22)36)26-12-39-28(34(41-26)47-3)11-38-19-44-15-21(2)31(46)18-44/h5-10,12-13,20-21,30-31,38,45-46H,11,14-19H2,1-4H3/t20-,21-,30-,31-/m0/s1 HYKFZQSUVNFGLI-MFRJTTGASA-N 452341 US10710986, Example 479::US11555029, No. 479 Programmed cell death 1 ligand/protein 1 0.239 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452341&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457768 440968325 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244239 COc1nc(cnc1CNC[C@@H]1CNC(=O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CNC(=O)C2)c(OC)n1 InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-11-19-9-29(45)41-13-19)39-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-40-28(34(44-26)48-2)16-38-12-20-10-30(46)42-14-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,41,45)(H,42,46)/t19-,20-/m1/s1 MDVXPVVDIWUTNT-WOJBJXKFSA-N 452342 US10710986, Example 480::US11555029, No. 480 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452342&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430467 440968326 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244240 COc1nc(cnc1CNC[C@H]1CNC(=O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-12-19-11-30(46)41-13-19)39-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-40-28(34(44-26)48-2)16-38-14-20-9-10-29(45)42-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,41,46)(H,42,45)/t19-,20-/m0/s1 AXELLLFWZFCYIP-PMACEKPBSA-N 452343 US10710986, Example 481::US11555029, No. 481 Programmed cell death 1 ligand/protein 1 0.227 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452343&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430472 440968327 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244241 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@]3(O)C[C@@H]3C2)c(OC)n1 InChI=1S/C35H37Cl2N7O4/c1-47-33-28(15-38-14-21-9-10-30(45)41-21)39-16-26(42-33)24-7-3-5-22(31(24)36)23-6-4-8-25(32(23)37)27-17-40-29(34(43-27)48-2)19-44-12-11-35(46)13-20(35)18-44/h3-8,16-17,20-21,38,46H,9-15,18-19H2,1-2H3,(H,41,45)/t20-,21+,35+/m1/s1 JNYDDMGWXOXPLQ-RZGOILFOSA-N 452344 US10710986, Example 482::US11555029, No. 482 Programmed cell death 1 ligand/protein 1 0.108 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452344&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430470 440968328 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244242 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCCC2C(C)(C)O)c(OC)n1 InChI=1S/C36H41Cl2N7O4/c1-36(2,47)30-12-7-15-45(30)20-29-35(49-4)44-27(19-41-29)25-11-6-9-23(33(25)38)22-8-5-10-24(32(22)37)26-18-40-28(34(43-26)48-3)17-39-16-21-13-14-31(46)42-21/h5-6,8-11,18-19,21,30,39,47H,7,12-17,20H2,1-4H3,(H,42,46)/t21-,30?/m0/s1 FDWKKIMVRWMJNN-UHWFRNQFSA-N 452345 US10710986, Example 483::US11555029, No. 483 Programmed cell death 1 ligand/protein 1 0.341 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452345&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429880 440968329 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244243 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)C(C)(C)O)c(OC)n1 InChI=1S/C35H39Cl2N7O4/c1-35(2,46)20-17-44(18-20)19-29-34(48-4)43-27(16-40-29)25-10-6-8-23(32(25)37)22-7-5-9-24(31(22)36)26-15-39-28(33(42-26)47-3)14-38-13-21-11-12-30(45)41-21/h5-10,15-16,20-21,38,46H,11-14,17-19H2,1-4H3,(H,41,45)/t21-/m0/s1 CFOKRDZBBAKVCE-NRFANRHFSA-N 452346 US10710986, Example 484::US11555029, No. 484 Programmed cell death 1 ligand/protein 1 0.122 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452346&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429881 440968330 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244244 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2C3CC2COC3)c(OC)n1 InChI=1S/C34H35Cl2N7O4/c1-45-33-28(13-37-12-19-9-10-30(44)40-19)38-14-26(41-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-15-39-29(34(42-27)46-2)16-43-20-11-21(43)18-47-17-20/h3-8,14-15,19-21,37H,9-13,16-18H2,1-2H3,(H,40,44)/t19-,20?,21?/m0/s1 VIDOMRFXARIWAP-MWXLCCTBSA-N 452347 US10710986, Example 485::US11555029, No. 485 Programmed cell death 1 ligand/protein 1 0.229 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452347&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429885 440968331 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244245 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2(O)CCC2)c(OC)n1 InChI=1S/C34H37Cl2N7O4/c1-46-32-27(15-37-14-20-10-11-29(44)41-20)39-17-25(42-32)23-8-3-6-21(30(23)35)22-7-4-9-24(31(22)36)26-18-40-28(33(43-26)47-2)16-38-19-34(45)12-5-13-34/h3-4,6-9,17-18,20,37-38,45H,5,10-16,19H2,1-2H3,(H,41,44)/t20-/m0/s1 LQQYZSKBAQMXGS-FQEVSTJZSA-N 452348 US10710986, Example 486::US11555029, No. 486 Programmed cell death 1 ligand/protein 1 0.290 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452348&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429884 440968332 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244246 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2C[C@H](C)[C@@H](O)C2)c(OC)n1 InChI=1S/C34H37Cl2N7O4/c1-19-16-43(18-29(19)44)17-28-34(47-3)42-26(15-39-28)24-9-5-7-22(32(24)36)21-6-4-8-23(31(21)35)25-14-38-27(33(41-25)46-2)13-37-12-20-10-11-30(45)40-20/h4-9,14-15,19-20,29,37,44H,10-13,16-18H2,1-3H3,(H,40,45)/t19-,20-,29-/m0/s1 RLLVEFLQWXBBTP-SGHJWQDXSA-N 452349 US10710986, Example 487::US11555029, No. 487 Programmed cell death 1 ligand/protein 1 0.123 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452349&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429878 440968333 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244247 CNc1nc(cnc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C36H39Cl2N9O3/c1-21(48)47-19-36(20-47)17-46(18-36)16-30-34(39-2)44-27(14-42-30)25-8-4-6-23(32(25)37)24-7-5-9-26(33(24)38)28-15-41-29(35(45-28)50-3)13-40-12-22-10-11-31(49)43-22/h4-9,14-15,22,40H,10-13,16-20H2,1-3H3,(H,39,44)(H,43,49)/t22-/m0/s1 DRBRKFQDICEJEG-QFIPXVFZSA-N 452350 US10710986, Example 488::US11555029, No. 488 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452350&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457603 440968334 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244248 COc1nc(cnc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CN(C4)C(C)=O)nn(C)c2n1 InChI=1S/C39H40Cl2N10O3/c1-23(52)50-19-38(20-50)15-48(16-38)13-31-35-36(47(3)46-31)44-29(12-43-35)27-9-5-7-25(33(27)40)26-8-6-10-28(34(26)41)30-11-42-32(37(45-30)54-4)14-49-17-39(18-49)21-51(22-39)24(2)53/h5-12H,13-22H2,1-4H3 HHYQKDDPKLKSRL-UHFFFAOYSA-N 452351 US10710986, Example 489::US11555029, No. 489 Programmed cell death 1 ligand/protein 1 0.332 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452351&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457607 440968335 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244249 CCn1nc(CN2CC3(C2)CN(C3)C(C)=O)c2ncc(nc12)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CN(C3)C(C)=O)c(OC)n1 InChI=1S/C40H42Cl2N10O3/c1-5-52-37-36(32(47-52)14-48-16-39(17-48)20-50(21-39)24(2)53)44-13-30(45-37)28-10-6-8-26(34(28)41)27-9-7-11-29(35(27)42)31-12-43-33(38(46-31)55-4)15-49-18-40(19-49)22-51(23-40)25(3)54/h6-13H,5,14-23H2,1-4H3 WZLHWKDFNVGQIO-UHFFFAOYSA-N 452352 US10710986, Example 490::US11555029, No. 490 Programmed cell death 1 ligand/protein 1 0.565 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452352&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457608 440968336 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244250 COc1nc(cnc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc2c(CN3CC4(C3)CN(C4)C(C)=O)cn(C)c2n1 InChI=1S/C41H42Cl2N8O3/c1-25(52)50-21-40(22-50)17-48(18-40)15-27-14-47(3)38-28(27)11-12-33(45-38)31-9-5-7-29(36(31)42)30-8-6-10-32(37(30)43)34-13-44-35(39(46-34)54-4)16-49-19-41(20-49)23-51(24-41)26(2)53/h5-14H,15-24H2,1-4H3 MTGLNJNBGAYCNM-UHFFFAOYSA-N 452353 US10710986, Example 491::US11555029, No. 491 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452353&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457770 440968337 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244251 COc1nc(cnc1CN1CC(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc2c(CN3CC(O)C3)cn(C)c2n1 InChI=1S/C33H32Cl2N6O3/c1-39-12-19(13-40-14-20(42)15-40)22-9-10-27(37-32(22)39)25-7-3-5-23(30(25)34)24-6-4-8-26(31(24)35)28-11-36-29(33(38-28)44-2)18-41-16-21(43)17-41/h3-12,20-21,42-43H,13-18H2,1-2H3 KYHAPWRKAMKZHN-UHFFFAOYSA-N 452354 US10710986, Example 492::US11555029, No. 492 Programmed cell death 1 ligand/protein 1 0.092 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452354&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429504 440968338 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244252 COc1nc(cnc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc2c(CN3CC4(C3)CNC(=O)C4)cn(C)c2n1 InChI=1S/C39H38Cl2N8O3/c1-47-14-23(15-48-19-38(20-48)11-32(50)43-17-38)24-9-10-29(45-36(24)47)27-7-3-5-25(34(27)40)26-6-4-8-28(35(26)41)30-13-42-31(37(46-30)52-2)16-49-21-39(22-49)12-33(51)44-18-39/h3-10,13-14H,11-12,15-22H2,1-2H3,(H,43,50)(H,44,51) INIFAIHNOOCQHR-UHFFFAOYSA-N 452355 US10710986, Example 493::US11555029, No. 493 Programmed cell death 1 ligand/protein 1 0.109 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452355&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430272 440968339 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244253 COc1nc(cnc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc2c(CN3CC4(C3)CCC(=O)N4)cn(C)c2n1 InChI=1S/C39H38Cl2N8O3/c1-47-16-23(17-48-19-38(20-48)13-11-32(50)45-38)24-9-10-29(43-36(24)47)27-7-3-5-25(34(27)40)26-6-4-8-28(35(26)41)30-15-42-31(37(44-30)52-2)18-49-21-39(22-49)14-12-33(51)46-39/h3-10,15-16H,11-14,17-22H2,1-2H3,(H,45,50)(H,46,51) IKQPEXVTWDNAAF-UHFFFAOYSA-N 452356 US10710986, Example 494::US11555029, No. 494 Programmed cell death 1 ligand/protein 1 0.139 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452356&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430271 440968340 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244254 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc2c(CNC[C@@H]3CCC(=O)N3)cn(C)c2n1 InChI=1S/C37H38Cl2N8O3/c1-47-20-21(15-40-16-22-9-13-32(48)43-22)24-11-12-29(45-36(24)47)27-7-3-5-25(34(27)38)26-6-4-8-28(35(26)39)30-19-42-31(37(46-30)50-2)18-41-17-23-10-14-33(49)44-23/h3-8,11-12,19-20,22-23,40-41H,9-10,13-18H2,1-2H3,(H,43,48)(H,44,49)/t22-,23-/m0/s1 IRIXIVWZRZEPAS-GOTSBHOMSA-N 452357 US10710986, Example 495::US11555029, No. 495 Programmed cell death 1 ligand/protein 1 0.247 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452357&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457799 440968341 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244255 OC1CN(Cc2ncc(nc2N2CCC2)-c2cccc(c2Cl)-c2cccc(-c3cnc(CN4CC(O)C4)c(n3)N3CCC3)c2Cl)C1 InChI=1S/C34H36Cl2N8O2/c35-31-23(5-1-7-25(31)27-13-37-29(19-41-15-21(45)16-41)33(39-27)43-9-3-10-43)24-6-2-8-26(32(24)36)28-14-38-30(20-42-17-22(46)18-42)34(40-28)44-11-4-12-44/h1-2,5-8,13-14,21-22,45-46H,3-4,9-12,15-20H2 ZVGGLQYTUOKEDU-UHFFFAOYSA-N 452358 US10710986, Example 496::US11555029, No. 496 Programmed cell death 1 ligand/protein 1 0.386 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452358&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430274 440968342 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244256 COc1nc(ccc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1F)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(OC)n1 InChI=1S/C37H37ClFN7O4/c1-49-34-22(14-45-18-36(19-45)11-30(47)41-16-36)9-10-27(43-34)26-8-4-6-24(33(26)39)23-5-3-7-25(32(23)38)28-13-40-29(35(44-28)50-2)15-46-20-37(21-46)12-31(48)42-17-37/h3-10,13H,11-12,14-21H2,1-2H3,(H,41,47)(H,42,48) YYMVEHJOHGDXEI-UHFFFAOYSA-N 452359 US10710986, Example 497::US11555029, No. 497 Programmed cell death 1 ligand/protein 1 0.276 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452359&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430269 440968343 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244257 COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1F)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C35H37ClFN7O4/c1-47-34-20(15-38-16-21-10-13-30(45)41-21)9-12-27(43-34)26-8-4-6-24(33(26)37)23-5-3-7-25(32(23)36)28-19-40-29(35(44-28)48-2)18-39-17-22-11-14-31(46)42-22/h3-9,12,19,21-22,38-39H,10-11,13-18H2,1-2H3,(H,41,45)(H,42,46)/t21-,22-/m0/s1 DFYORBOGTWDQTP-VXKWHMMOSA-N 452360 US10710986, Example 498::US11555029, No. 498 Programmed cell death 1 ligand/protein 1 0.169 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452360&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430236 440968344 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244258 COc1nc(cnc1CN1CC[C@H](C1)C(C)(C)O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@H](C2)C(C)(C)O)c(OC)n1 InChI=1S/C38H46Cl2N6O4/c1-37(2,47)23-13-15-45(19-23)21-31-35(49-5)43-29(17-41-31)27-11-7-9-25(33(27)39)26-10-8-12-28(34(26)40)30-18-42-32(36(44-30)50-6)22-46-16-14-24(20-46)38(3,4)48/h7-12,17-18,23-24,47-48H,13-16,19-22H2,1-6H3/t23-,24-/m1/s1 IYKRYLFQLMQCAT-DNQXCXABSA-N 452361 US10710986, Example 499::US11555029, No. 499 Programmed cell death 1 ligand/protein 1 0.203 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452361&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430237 440968345 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244259 COc1nc(cnc1CN1CC[C@@H](C1)C(C)(C)O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](C2)C(C)(C)O)c(OC)n1 InChI=1S/C38H46Cl2N6O4/c1-37(2,47)23-13-15-45(19-23)21-31-35(49-5)43-29(17-41-31)27-11-7-9-25(33(27)39)26-10-8-12-28(34(26)40)30-18-42-32(36(44-30)50-6)22-46-16-14-24(20-46)38(3,4)48/h7-12,17-18,23-24,47-48H,13-16,19-22H2,1-6H3/t23-,24-/m0/s1 IYKRYLFQLMQCAT-ZEQRLZLVSA-N 452362 US10710986, Example 500::US11555029, No. 500 Programmed cell death 1 ligand/protein 1 0.232 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452362&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430205 440968346 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244260 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@H](C2)C(C)(C)O)c(OC)n1 InChI=1S/C36H41Cl2N7O4/c1-36(2,47)21-13-14-45(19-21)20-30-35(49-4)44-28(18-41-30)26-10-6-8-24(33(26)38)23-7-5-9-25(32(23)37)27-17-40-29(34(43-27)48-3)16-39-15-22-11-12-31(46)42-22/h5-10,17-18,21-22,39,47H,11-16,19-20H2,1-4H3,(H,42,46)/t21-,22+/m1/s1 YULSUWWXVJGIKN-YADHBBJMSA-N 452363 US10710986, Example 501::US11555029, No. 501 Programmed cell death 1 ligand/protein 1 0.087 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452363&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430223 440968347 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244261 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](C2)C(C)(C)O)c(OC)n1 InChI=1S/C36H41Cl2N7O4/c1-36(2,47)21-13-14-45(19-21)20-30-35(49-4)44-28(18-41-30)26-10-6-8-24(33(26)38)23-7-5-9-25(32(23)37)27-17-40-29(34(43-27)48-3)16-39-15-22-11-12-31(46)42-22/h5-10,17-18,21-22,39,47H,11-16,19-20H2,1-4H3,(H,42,46)/t21-,22-/m0/s1 YULSUWWXVJGIKN-VXKWHMMOSA-N 452364 US10710986, Example 502::US11555029, No. 502 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452364&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430207 440968348 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244262 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(CC2)C(N)=O)c(OC)n1 InChI=1S/C35H38Cl2N8O4/c1-48-34-28(16-39-15-21-9-10-30(46)42-21)40-17-26(43-34)24-7-3-5-22(31(24)36)23-6-4-8-25(32(23)37)27-18-41-29(35(44-27)49-2)19-45-13-11-20(12-14-45)33(38)47/h3-8,17-18,20-21,39H,9-16,19H2,1-2H3,(H2,38,47)(H,42,46)/t21-/m0/s1 GXFMEHQUKUTLJW-NRFANRHFSA-N 452365 US10710986, Example 508::US11555029, No. 508 Programmed cell death 1 ligand/protein 1 0.084 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452365&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430208 440968349 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244263 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC2CCOCC2)c(OC)n1 InChI=1S/C34H37Cl2N7O4/c1-45-33-28(16-37-15-21-9-10-30(44)41-21)39-17-26(42-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-18-40-29(34(43-27)46-2)19-38-20-11-13-47-14-12-20/h3-8,17-18,20-21,37-38H,9-16,19H2,1-2H3,(H,41,44)/t21-/m0/s1 AIZYOXBJCQLRKJ-NRFANRHFSA-N 452366 US10710986, Example 509::US11555029, No. 509 Programmed cell death 1 ligand/protein 1 0.106 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452366&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430212 440968350 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244264 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@](C)(O)C2)c(OC)n1 InChI=1S/C34H37Cl2N7O4/c1-34(45)12-13-43(19-34)18-28-33(47-3)42-26(17-39-28)24-9-5-7-22(31(24)36)21-6-4-8-23(30(21)35)25-16-38-27(32(41-25)46-2)15-37-14-20-10-11-29(44)40-20/h4-9,16-17,20,37,45H,10-15,18-19H2,1-3H3,(H,40,44)/t20-,34-/m0/s1 UNZGDLDEBZCUDH-TYHYVREOSA-N 452367 US10710986, Example 510::US11555029, No. 510 Programmed cell death 1 ligand/protein 1 0.192 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452367&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457610 440968351 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244265 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@H](CO)C2)c(OC)n1 InChI=1S/C34H37Cl2N7O4/c1-46-33-28(14-37-13-20-9-10-30(45)41-20)39-15-26(42-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-16-40-29(34(43-27)47-2)17-38-21-11-19(12-21)18-44/h3-8,15-16,19-21,37-38,44H,9-14,17-18H2,1-2H3,(H,41,45)/t19-,20-,21-/m0/s1 FIKQKUIIGKYJAW-ACRUOGEOSA-N 452368 US10710986, Example 511::US11555029, No. 511 Programmed cell death 1 ligand/protein 1 0.197 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452368&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429429 440968352 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244266 COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCCC(O)=O)c(OC)n1 InChI=1S/C33H34Cl2N6O5/c1-45-32-19(15-37-16-20-10-12-28(42)39-20)9-11-25(40-32)23-7-3-5-21(30(23)34)22-6-4-8-24(31(22)35)26-18-38-27(33(41-26)46-2)17-36-14-13-29(43)44/h3-9,11,18,20,36-37H,10,12-17H2,1-2H3,(H,39,42)(H,43,44)/t20-/m0/s1 LLGKMWJJIAITAY-FQEVSTJZSA-N 452369 US10710986, Example 512::US11555029, No. 512 Programmed cell death 1 ligand/protein 1 0.101 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452369&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430310 440968353 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244267 COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](C2)C(O)=O)c(OC)n1 InChI=1S/C35H36Cl2N6O5/c1-47-33-20(15-38-16-22-10-12-30(44)40-22)9-11-27(41-33)25-7-3-5-23(31(25)36)24-6-4-8-26(32(24)37)28-17-39-29(34(42-28)48-2)19-43-14-13-21(18-43)35(45)46/h3-9,11,17,21-22,38H,10,12-16,18-19H2,1-2H3,(H,40,44)(H,45,46)/t21-,22-/m0/s1 VWDLBQAXSXTFMW-VXKWHMMOSA-N 452370 US10710986, Example 513::US11555029, No. 513 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452370&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430313 440968354 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244268 COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@H](C2)C(O)=O)c(OC)n1 InChI=1S/C35H36Cl2N6O5/c1-47-33-20(15-38-16-22-10-12-30(44)40-22)9-11-27(41-33)25-7-3-5-23(31(25)36)24-6-4-8-26(32(24)37)28-17-39-29(34(42-28)48-2)19-43-14-13-21(18-43)35(45)46/h3-9,11,17,21-22,38H,10,12-16,18-19H2,1-2H3,(H,40,44)(H,45,46)/t21-,22+/m1/s1 VWDLBQAXSXTFMW-YADHBBJMSA-N 452371 US10710986, Example 514::US11555029, No. 514 Programmed cell death 1 ligand/protein 1 0.090 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452371&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430316 440968355 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244269 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C2)c2cc[nH]n2)c(OC)n1 452372 US10710986, Example 515::US11555029, No. 515 Programmed cell death 1 ligand/protein 1 0.342 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452372&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430314 440968356 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244270 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@H](O)[C@@H]2C)c(OC)n1 InChI=1S/C34H37Cl2N7O4/c1-19-29(44)12-13-43(19)18-28-34(47-3)42-26(17-39-28)24-9-5-7-22(32(24)36)21-6-4-8-23(31(21)35)25-16-38-27(33(41-25)46-2)15-37-14-20-10-11-30(45)40-20/h4-9,16-17,19-20,29,37,44H,10-15,18H2,1-3H3,(H,40,45)/t19-,20-,29-/m0/s1 YSZSIRMUOIGYLX-SGHJWQDXSA-N 452373 US10710986, Example 516::US11555029, No. 516 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452373&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430319 440968357 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244271 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](C2)C(N)=O)c(OC)n1 InChI=1S/C34H36Cl2N8O4/c1-47-33-27(14-38-13-20-9-10-29(45)41-20)39-15-25(42-33)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-16-40-28(34(43-26)48-2)18-44-12-11-19(17-44)32(37)46/h3-8,15-16,19-20,38H,9-14,17-18H2,1-2H3,(H2,37,46)(H,41,45)/t19-,20-/m0/s1 IVTKTAJFZQNLHM-PMACEKPBSA-N 452374 US10710986, Example 517::US11555029, No. 517 Programmed cell death 1 ligand/protein 1 0.106 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452374&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429477 440968358 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244272 COc1nc(cnc1CNCCc1cnccn1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCCc2cnccn2)c(OC)n1 InChI=1S/C36H34Cl2N10O2/c1-49-35-31(19-39-11-9-23-17-41-13-15-43-23)45-21-29(47-35)27-7-3-5-25(33(27)37)26-6-4-8-28(34(26)38)30-22-46-32(36(48-30)50-2)20-40-12-10-24-18-42-14-16-44-24/h3-8,13-18,21-22,39-40H,9-12,19-20H2,1-2H3 WXWJXGRWQXWSON-UHFFFAOYSA-N 452376 US10710986, Example 518::US11555029, No. 518 Programmed cell death 1 ligand/protein 1 0.144 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452376&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429479 440968360 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244273 COc1nc(cnc1CN1C[C@H](O)[C@H](O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2C[C@H](O)[C@H](O)C2)c(OC)n1 InChI=1S/C32H34Cl2N6O6/c1-45-31-23(11-39-13-25(41)26(42)14-39)35-9-21(37-31)19-7-3-5-17(29(19)33)18-6-4-8-20(30(18)34)22-10-36-24(32(38-22)46-2)12-40-15-27(43)28(44)16-40/h3-10,25-28,41-44H,11-16H2,1-2H3/t25-,26+,27-,28+ QGERZSJVIFTCEU-KMKVIZFGSA-N 452377 US10710986, Example 519::US11555029, No. 519 Programmed cell death 1 ligand/protein 1 0.277 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452377&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429478 440968361 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244274 COc1nc(cnc1CNCCc1cncnc1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C35H35Cl2N9O3/c1-48-34-29(16-38-12-11-21-13-40-20-41-14-21)42-18-27(45-34)25-7-3-5-23(32(25)36)24-6-4-8-26(33(24)37)28-19-43-30(35(46-28)49-2)17-39-15-22-9-10-31(47)44-22/h3-8,13-14,18-20,22,38-39H,9-12,15-17H2,1-2H3,(H,44,47)/t22-/m0/s1 UOCJGEWLMGOJDG-QFIPXVFZSA-N 452378 US10710986, Example 520::US11555029, No. 520 Programmed cell death 1 ligand/protein 1 0.072 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452378&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429480 440968362 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244275 COc1nc(cnc1CNCCc1cnccn1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C35H35Cl2N9O3/c1-48-34-29(17-38-12-11-21-15-39-13-14-41-21)42-19-27(45-34)25-7-3-5-23(32(25)36)24-6-4-8-26(33(24)37)28-20-43-30(35(46-28)49-2)18-40-16-22-9-10-31(47)44-22/h3-8,13-15,19-20,22,38,40H,9-12,16-18H2,1-2H3,(H,44,47)/t22-/m0/s1 NFISGRZUURTGBJ-QFIPXVFZSA-N 452379 US10710986, Example 521::US11555029, No. 521 Programmed cell death 1 ligand/protein 1 0.071 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452379&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429481 440968363 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244276 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN(CCO)CCO)c(OC)n1 InChI=1S/C33H37Cl2N7O5/c1-46-32-27(16-36-15-20-9-10-29(45)39-20)37-17-25(40-32)23-7-3-5-21(30(23)34)22-6-4-8-24(31(22)35)26-18-38-28(33(41-26)47-2)19-42(11-13-43)12-14-44/h3-8,17-18,20,36,43-44H,9-16,19H2,1-2H3,(H,39,45)/t20-/m0/s1 QLQLKEIOZXTHFX-FQEVSTJZSA-N 452380 US10710986, Example 522::US11555029, No. 522 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452380&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429476 440968364 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244277 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(O)(CO)C2)c(OC)n1 InChI=1S/C34H37Cl2N7O5/c1-47-32-27(14-37-13-20-9-10-29(45)40-20)38-15-25(41-32)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-16-39-28(33(42-26)48-2)17-43-12-11-34(46,18-43)19-44/h3-8,15-16,20,37,44,46H,9-14,17-19H2,1-2H3,(H,40,45)/t20-,34?/m0/s1 NAMYPHCJTGQBMT-FGKHMDTNSA-N 452381 US10710986, Example 523::US11555029, No. 523 Programmed cell death 1 ligand/protein 1 0.181 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452381&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429482 440968365 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244278 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2C[C@H](O)[C@H](O)C2)c(OC)n1 InChI=1S/C33H35Cl2N7O5/c1-46-32-25(12-36-11-18-9-10-29(45)39-18)37-13-23(40-32)21-7-3-5-19(30(21)34)20-6-4-8-22(31(20)35)24-14-38-26(33(41-24)47-2)15-42-16-27(43)28(44)17-42/h3-8,13-14,18,27-28,36,43-44H,9-12,15-17H2,1-2H3,(H,39,45)/t18-,27-,28+/m0/s1 HPHMEISOYCIKIC-YCTYLWGJSA-N 452382 US10710986, Example 524::US11555029, No. 524 Programmed cell death 1 ligand/protein 1 0.115 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452382&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430339 440968366 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244279 COc1nc(cnc1CN1CCC(C1)N1CCNC1=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C2)N2CCNC2=O)c(OC)n1 InChI=1S/C38H42Cl2N10O4/c1-53-35-31(21-47-13-9-23(19-47)49-15-11-41-37(49)51)43-17-29(45-35)27-7-3-5-25(33(27)39)26-6-4-8-28(34(26)40)30-18-44-32(36(46-30)54-2)22-48-14-10-24(20-48)50-16-12-42-38(50)52/h3-8,17-18,23-24H,9-16,19-22H2,1-2H3,(H,41,51)(H,42,52) QGGMUGMTTOTEKC-UHFFFAOYSA-N 452383 US10710986, Example 525::US11555029, No. 525 Programmed cell death 1 ligand/protein 1 0.105 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452383&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430335 440968367 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244280 COc1nc(cnc1CN1C[C@H](O)[C@@H](O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2C[C@H](O)[C@@H](O)C2)c(OC)n1 InChI=1S/C32H34Cl2N6O6/c1-45-31-23(11-39-13-25(41)26(42)14-39)35-9-21(37-31)19-7-3-5-17(29(19)33)18-6-4-8-20(30(18)34)22-10-36-24(32(38-22)46-2)12-40-15-27(43)28(44)16-40/h3-10,25-28,41-44H,11-16H2,1-2H3/t25-,26-,27-,28-/m0/s1 QGERZSJVIFTCEU-LJWNLINESA-N 452384 US10710986, Example 526::US11555029, No. 526 Programmed cell death 1 ligand/protein 1 0.168 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452384&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430343 440968368 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244281 COc1nc(cnc1CN1CC(C1)C(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)C(N)=O)c(OC)n1 InChI=1S/C32H32Cl2N8O4/c1-45-31-25(15-41-11-17(12-41)29(35)43)37-9-23(39-31)21-7-3-5-19(27(21)33)20-6-4-8-22(28(20)34)24-10-38-26(32(40-24)46-2)16-42-13-18(14-42)30(36)44/h3-10,17-18H,11-16H2,1-2H3,(H2,35,43)(H2,36,44) BXDWIWPYKXWVSB-UHFFFAOYSA-N 452386 US10710986, Example 527::US11555029, No. 527 Programmed cell death 1 ligand/protein 1 0.089 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452386&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430332 440968370 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244282 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C2)N2CCNC2=O)c(OC)n1 InChI=1S/C36H39Cl2N9O4/c1-50-34-29(16-39-15-21-9-10-31(48)43-21)41-17-27(44-34)25-7-3-5-23(32(25)37)24-6-4-8-26(33(24)38)28-18-42-30(35(45-28)51-2)20-46-13-11-22(19-46)47-14-12-40-36(47)49/h3-8,17-18,21-22,39H,9-16,19-20H2,1-2H3,(H,40,49)(H,43,48)/t21-,22?/m0/s1 OHXACXRFJJTEIY-HMTLIYDFSA-N 452387 US10710986, Example 528::US11555029, No. 528 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452387&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430336 440968371 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244283 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2C[C@H](O)[C@@H](O)C2)c(OC)n1 InChI=1S/C33H35Cl2N7O5/c1-46-32-25(12-36-11-18-9-10-29(45)39-18)37-13-23(40-32)21-7-3-5-19(30(21)34)20-6-4-8-22(31(20)35)24-14-38-26(33(41-24)47-2)15-42-16-27(43)28(44)17-42/h3-8,13-14,18,27-28,36,43-44H,9-12,15-17H2,1-2H3,(H,39,45)/t18-,27-,28-/m0/s1 HPHMEISOYCIKIC-GIXNAGKFSA-N 452388 US10710986, Example 529::US11555029, No. 529 Programmed cell death 1 ligand/protein 1 0.091 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452388&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430348 440968372 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244284 COC[C@@H]1C[C@@H](CN1Cc1ncc(nc1OC)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1)OC InChI=1S/C36H41Cl2N7O5/c1-47-20-22-13-23(48-2)18-45(22)19-31-36(50-4)44-29(17-41-31)27-10-6-8-25(34(27)38)24-7-5-9-26(33(24)37)28-16-40-30(35(43-28)49-3)15-39-14-21-11-12-32(46)42-21/h5-10,16-17,21-23,39H,11-15,18-20H2,1-4H3,(H,42,46)/t21-,22-,23-/m0/s1 XQNDLDMSQNGBNX-VABKMULXSA-N 452389 US10710986, Example 530::US11555029, No. 530 Programmed cell death 1 ligand/protein 1 0.212 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452389&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430337 440968373 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244285 COc1nc(cnc1CN1CCC(C1)C(=O)N(C)C)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C2)C(=O)N(C)C)c(OC)n1 InChI=1S/C38H44Cl2N8O4/c1-45(2)37(49)23-13-15-47(19-23)21-31-35(51-5)43-29(17-41-31)27-11-7-9-25(33(27)39)26-10-8-12-28(34(26)40)30-18-42-32(36(44-30)52-6)22-48-16-14-24(20-48)38(50)46(3)4/h7-12,17-18,23-24H,13-16,19-22H2,1-6H3 DPARJYVDVRBEIX-UHFFFAOYSA-N 452390 US10710986, Example 531::US11555029, No. 531 Programmed cell death 1 ligand/protein 1 0.225 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452390&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430354 440968374 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244286 COc1nc(cnc1CN1CC[C@H](C1)C(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@H](C2)C(N)=O)c(OC)n1 InChI=1S/C34H36Cl2N8O4/c1-47-33-27(17-43-11-9-19(15-43)31(37)45)39-13-25(41-33)23-7-3-5-21(29(23)35)22-6-4-8-24(30(22)36)26-14-40-28(34(42-26)48-2)18-44-12-10-20(16-44)32(38)46/h3-8,13-14,19-20H,9-12,15-18H2,1-2H3,(H2,37,45)(H2,38,46)/t19-,20-/m1/s1 JACQCZDSEXFOHX-WOJBJXKFSA-N 452391 US10710986, Example 532::US11555029, No. 532 Programmed cell death 1 ligand/protein 1 0.273 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452391&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457801 440968375 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244287 COc1nc(cnc1CN1C[C@@H](C)[C@H](CO)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2C[C@@H](C)[C@H](CO)C2)c(OC)n1 InChI=1S/C36H42Cl2N6O4/c1-21-13-43(15-23(21)19-45)17-31-35(47-3)41-29(11-39-31)27-9-5-7-25(33(27)37)26-8-6-10-28(34(26)38)30-12-40-32(36(42-30)48-4)18-44-14-22(2)24(16-44)20-46/h5-12,21-24,45-46H,13-20H2,1-4H3/t21-,22-,23+,24+/m1/s1 QJVRJFMAXSGSQQ-LWSSLDFYSA-N 452392 US10710986, Example 533::US11555029, No. 533 Programmed cell death 1 ligand/protein 1 0.096 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452392&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430284 440968376 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244288 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C2)C(=O)N(C)C)c(OC)n1 InChI=1S/C36H40Cl2N8O4/c1-45(2)36(48)21-13-14-46(19-21)20-30-35(50-4)44-28(18-41-30)26-10-6-8-24(33(26)38)23-7-5-9-25(32(23)37)27-17-40-29(34(43-27)49-3)16-39-15-22-11-12-31(47)42-22/h5-10,17-18,21-22,39H,11-16,19-20H2,1-4H3,(H,42,47)/t21?,22-/m0/s1 KJMALOGJWYCVMJ-KEKNWZKVSA-N 452393 US10710986, Example 534::US11555029, No. 534 Programmed cell death 1 ligand/protein 1 0.299 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452393&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430276 440968377 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244289 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@H](C2)C(N)=O)c(OC)n1 InChI=1S/C34H36Cl2N8O4/c1-47-33-27(14-38-13-20-9-10-29(45)41-20)39-15-25(42-33)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-16-40-28(34(43-26)48-2)18-44-12-11-19(17-44)32(37)46/h3-8,15-16,19-20,38H,9-14,17-18H2,1-2H3,(H2,37,46)(H,41,45)/t19-,20+/m1/s1 IVTKTAJFZQNLHM-UXHICEINSA-N 452394 US10710986, Example 535::US11555029, No. 535 Programmed cell death 1 ligand/protein 1 0.095 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452394&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430280 440968378 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244290 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@H](C2)OC(F)F)c(OC)n1 InChI=1S/C34H35Cl2F2N7O4/c1-47-32-27(14-39-13-18-9-10-29(46)43-18)41-15-25(44-32)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-16-42-28(33(45-26)48-2)17-40-19-11-20(12-19)49-34(37)38/h3-8,15-16,18-20,34,39-40H,9-14,17H2,1-2H3,(H,43,46)/t18-,19-,20+/m0/s1 BRIZKNHGEHGXQF-SLFFLAALSA-N 452395 US10710986, Example 536::US11555029, No. 536 Programmed cell death 1 ligand/protein 1 0.276 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452395&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430281 440968379 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244291 COc1nc(cnc1CN1CCC2(CCC(=O)N2)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC3(CCC(=O)N3)C2)c(OC)n1 InChI=1S/C38H40Cl2N8O4/c1-51-35-29(19-47-15-13-37(21-47)11-9-31(49)45-37)41-17-27(43-35)25-7-3-5-23(33(25)39)24-6-4-8-26(34(24)40)28-18-42-30(36(44-28)52-2)20-48-16-14-38(22-48)12-10-32(50)46-38/h3-8,17-18H,9-16,19-22H2,1-2H3,(H,45,49)(H,46,50) MYKNJBXBUSCVDO-UHFFFAOYSA-N 452396 US10710986, Example 537::US11555029, No. 537 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452396&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430285 440968380 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244292 COc1nc(cnc1CNCC[C@@H]1CNC(=O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC[C@@H]2CNC(=O)C2)c(OC)n1 InChI=1S/C36H40Cl2N8O4/c1-49-35-29(17-39-11-9-21-13-31(47)43-15-21)41-19-27(45-35)25-7-3-5-23(33(25)37)24-6-4-8-26(34(24)38)28-20-42-30(36(46-28)50-2)18-40-12-10-22-14-32(48)44-16-22/h3-8,19-22,39-40H,9-18H2,1-2H3,(H,43,47)(H,44,48)/t21-,22-/m0/s1 AMFYPYBSZRSDQZ-VXKWHMMOSA-N 452397 US10710986, Example 538::US11555029, No. 538 Programmed cell death 1 ligand/protein 1 0.199 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452397&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430282 440968381 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244293 COc1nc(cnc1CNCC[C@@H]1CNC(=O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C35H38Cl2N8O4/c1-48-34-28(16-38-12-11-20-13-31(47)42-14-20)40-18-26(44-34)24-7-3-5-22(32(24)36)23-6-4-8-25(33(23)37)27-19-41-29(35(45-27)49-2)17-39-15-21-9-10-30(46)43-21/h3-8,18-21,38-39H,9-17H2,1-2H3,(H,42,47)(H,43,46)/t20-,21-/m0/s1 QUGHNZFIAFIITK-SFTDATJTSA-N 452398 US10710986, Example 539::US11555029, No. 539 Programmed cell death 1 ligand/protein 1 0.171 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452398&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430368 440968382 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244294 COc1nc(cnc1CNCC[C@H]1CNC(=O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC[C@H]2CNC(=O)C2)c(OC)n1 InChI=1S/C36H40Cl2N8O4/c1-49-35-29(17-39-11-9-21-13-31(47)43-15-21)41-19-27(45-35)25-7-3-5-23(33(25)37)24-6-4-8-26(34(24)38)28-20-42-30(36(46-28)50-2)18-40-12-10-22-14-32(48)44-16-22/h3-8,19-22,39-40H,9-18H2,1-2H3,(H,43,47)(H,44,48)/t21-,22-/m1/s1 AMFYPYBSZRSDQZ-FGZHOGPDSA-N 452399 US10710986, Example 540::US11555029, No. 540 Programmed cell death 1 ligand/protein 1 0.072 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452399&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430369 440968383 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244295 COc1nc(cnc1CNCC[C@H]1CNC(=O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C35H38Cl2N8O4/c1-48-34-28(16-38-12-11-20-13-31(47)42-14-20)40-18-26(44-34)24-7-3-5-22(32(24)36)23-6-4-8-25(33(23)37)27-19-41-29(35(45-27)49-2)17-39-15-21-9-10-30(46)43-21/h3-8,18-21,38-39H,9-17H2,1-2H3,(H,42,47)(H,43,46)/t20-,21+/m1/s1 QUGHNZFIAFIITK-RTWAWAEBSA-N 452400 US10710986, Example 541::US11555029, No. 541 Programmed cell death 1 ligand/protein 1 0.094 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452400&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430372 440968384 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244296 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC[C@H]3[C@@H]2CNC3=O)c(OC)n1 InChI=1S/C36H38Cl2N8O4/c1-49-35-28(15-39-14-20-11-12-31(47)43-20)40-16-26(44-35)23-8-3-6-21(32(23)37)22-7-4-9-24(33(22)38)27-17-41-29(36(45-27)50-2)19-46-13-5-10-25-30(46)18-42-34(25)48/h3-4,6-9,16-17,20,25,30,39H,5,10-15,18-19H2,1-2H3,(H,42,48)(H,43,47)/t20-,25-,30-/m0/s1 MCPPBBHWPHSYRB-QIAHQPDOSA-N 452401 US10710986, Example 542::US11555029, No. 542 Programmed cell death 1 ligand/protein 1 0.392 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452401&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430370 440968385 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244297 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2CCN(C)C2=O)c(OC)n1 InChI=1S/C35H38Cl2N8O4/c1-45-13-12-20(35(45)47)14-38-16-28-33(48-2)43-26(18-40-28)24-8-4-6-22(31(24)36)23-7-5-9-25(32(23)37)27-19-41-29(34(44-27)49-3)17-39-15-21-10-11-30(46)42-21/h4-9,18-21,38-39H,10-17H2,1-3H3,(H,42,46)/t20?,21-/m0/s1 UYZNBUIINMDGLO-LBAQZLPGSA-N 452402 US10710986, Example 543::US11555029, No. 543 Programmed cell death 1 ligand/protein 1 0.200 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452402&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430371 440968386 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244298 COc1nc(cnc1CNCC12CC(O)(C1)C2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC23CC(O)(C2)C3)c(OC)n1 InChI=1S/C36H38Cl2N6O4/c1-47-31-27(9-39-19-33-13-35(45,14-33)15-33)41-11-25(43-31)23-7-3-5-21(29(23)37)22-6-4-8-24(30(22)38)26-12-42-28(32(44-26)48-2)10-40-20-34-16-36(46,17-34)18-34/h3-8,11-12,39-40,45-46H,9-10,13-20H2,1-2H3 XZNMBTYZNSIBCP-UHFFFAOYSA-N 452403 US10710986, Example 544::US11555029, No. 544 Programmed cell death 1 ligand/protein 1 0.238 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452403&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 155883527 440968387 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244299 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC23CC(O)(C2)C3)c(OC)n1 InChI=1S/C35H37Cl2N7O4/c1-47-32-27(12-38-11-20-9-10-29(45)42-20)40-14-25(43-32)23-7-3-5-21(30(23)36)22-6-4-8-24(31(22)37)26-15-41-28(33(44-26)48-2)13-39-19-34-16-35(46,17-34)18-34/h3-8,14-15,20,38-39,46H,9-13,16-19H2,1-2H3,(H,42,45)/t20-,34?,35?/m0/s1 NEKZDZTXQNDXIF-BWGTYKPUSA-N 452404 US10710986, Example 545::US11555029, No. 545 Programmed cell death 1 ligand/protein 1 0.214 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452404&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457691 440968388 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244300 COc1nc(cnc1CNCC1CN(C1)S(C)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2CN(C2)S(C)(=O)=O)c(OC)n1 InChI=1S/C34H40Cl2N8O6S2/c1-49-33-29(13-37-11-21-17-43(18-21)51(3,45)46)39-15-27(41-33)25-9-5-7-23(31(25)35)24-8-6-10-26(32(24)36)28-16-40-30(34(42-28)50-2)14-38-12-22-19-44(20-22)52(4,47)48/h5-10,15-16,21-22,37-38H,11-14,17-20H2,1-4H3 SGLJRWOPHWUORB-UHFFFAOYSA-N 452405 US10710986, Example 546::US11555029, No. 546 Programmed cell death 1 ligand/protein 1 0.089 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452405&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429512 440968389 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244301 COc1nc(cnc1CNCC1CN(C1)S(C)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C34H38Cl2N8O5S/c1-48-33-28(14-37-12-20-18-44(19-20)50(3,46)47)39-16-26(42-33)24-8-4-6-22(31(24)35)23-7-5-9-25(32(23)36)27-17-40-29(34(43-27)49-2)15-38-13-21-10-11-30(45)41-21/h4-9,16-17,20-21,37-38H,10-15,18-19H2,1-3H3,(H,41,45)/t21-/m0/s1 YRSAXIWCFRRCPN-NRFANRHFSA-N 452406 US10710986, Example 547::US11555029, No. 547 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452406&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429510 440968390 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244302 COc1nc(cnc1CN1CC(O)(C1)C1CC1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(O)(C2)C2CC2)c(OC)n1 InChI=1S/C36H38Cl2N6O4/c1-47-33-29(15-43-17-35(45,18-43)21-9-10-21)39-13-27(41-33)25-7-3-5-23(31(25)37)24-6-4-8-26(32(24)38)28-14-40-30(34(42-28)48-2)16-44-19-36(46,20-44)22-11-12-22/h3-8,13-14,21-22,45-46H,9-12,15-20H2,1-2H3 MBJHWFWXRPKVHM-UHFFFAOYSA-N 452407 US10710986, Example 548::US11555029, No. 548 Programmed cell death 1 ligand/protein 1 0.665 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452407&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429507 440968391 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244303 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(O)(C2)C2CC2)c(OC)n1 InChI=1S/C35H37Cl2N7O4/c1-47-33-28(14-38-13-21-11-12-30(45)41-21)39-15-26(42-33)24-7-3-5-22(31(24)36)23-6-4-8-25(32(23)37)27-16-40-29(34(43-27)48-2)17-44-18-35(46,19-44)20-9-10-20/h3-8,15-16,20-21,38,46H,9-14,17-19H2,1-2H3,(H,41,45)/t21-/m0/s1 FMQHZIMYRXKGSW-NRFANRHFSA-N 452408 US10710986, Example 549::US11555029, No. 549 Programmed cell death 1 ligand/protein 1 0.194 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452408&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429508 440968392 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244304 COc1nc(cnc1CN1CC(O)(C1)C#C)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(O)(C2)C#C)c(OC)n1 InChI=1S/C34H30Cl2N6O4/c1-5-33(43)17-41(18-33)15-27-31(45-3)39-25(13-37-27)23-11-7-9-21(29(23)35)22-10-8-12-24(30(22)36)26-14-38-28(32(40-26)46-4)16-42-19-34(44,6-2)20-42/h1-2,7-14,43-44H,15-20H2,3-4H3 LYNUQTFNMYIBQH-UHFFFAOYSA-N 452409 US10710986, Example 550::US11555029, No. 550 Programmed cell death 1 ligand/protein 1 0.593 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452409&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429506 440968393 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244305 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(O)(C2)C#C)c(OC)n1 InChI=1S/C34H33Cl2N7O4/c1-4-34(45)18-43(19-34)17-28-33(47-3)42-26(16-39-28)24-10-6-8-22(31(24)36)21-7-5-9-23(30(21)35)25-15-38-27(32(41-25)46-2)14-37-13-20-11-12-29(44)40-20/h1,5-10,15-16,20,37,45H,11-14,17-19H2,2-3H3,(H,40,44)/t20-/m0/s1 GMVLXJNKLGRICM-FQEVSTJZSA-N 452410 US10710986, Example 551::US11555029, No. 551 Programmed cell death 1 ligand/protein 1 0.464 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452410&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429513 440968394 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244306 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@H](C2)C(O)=O)c(OC)n1 InChI=1S/C34H35Cl2N7O5/c1-47-32-27(14-37-13-20-9-10-29(44)40-20)38-15-25(41-32)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-16-39-28(33(42-26)48-2)18-43-12-11-19(17-43)34(45)46/h3-8,15-16,19-20,37H,9-14,17-18H2,1-2H3,(H,40,44)(H,45,46)/t19-,20+/m1/s1 CHXHPEXMFZLVHE-UXHICEINSA-N 452411 US10710986, Example 552::US11555029, No. 552 Programmed cell death 1 ligand/protein 1 0.144 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452411&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429511 440968395 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244307 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@](C)(CO)C(O)=O)c(OC)n1 InChI=1S/C33H35Cl2N7O6/c1-33(17-43,32(45)46)39-16-26-31(48-3)42-24(15-38-26)22-9-5-7-20(29(22)35)19-6-4-8-21(28(19)34)23-14-37-25(30(41-23)47-2)13-36-12-18-10-11-27(44)40-18/h4-9,14-15,18,36,39,43H,10-13,16-17H2,1-3H3,(H,40,44)(H,45,46)/t18-,33-/m0/s1 FFEMSBNAPUEJSB-XHVUARLKSA-N 452412 US10710986, Example 553::US11555029, No. 553 Programmed cell death 1 ligand/protein 1 0.118 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452412&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457836 440968396 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244308 CNC(=O)NC1CN(Cc2ncc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CN3CC(C3)NC(=O)NC)c(OC)n2)C1 InChI=1S/C34H38Cl2N10O4/c1-37-33(47)41-19-13-45(14-19)17-27-31(49-3)43-25(11-39-27)23-9-5-7-21(29(23)35)22-8-6-10-24(30(22)36)26-12-40-28(32(44-26)50-4)18-46-15-20(16-46)42-34(48)38-2/h5-12,19-20H,13-18H2,1-4H3,(H2,37,41,47)(H2,38,42,48) JBBPDSGBHRIARM-UHFFFAOYSA-N 452413 US10710986, Example 554::US11555029, No. 554 Programmed cell death 1 ligand/protein 1 0.099 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452413&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429520 440968397 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244309 CNC(=O)C1CN(Cc2ncc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CN3CC(C3)C(=O)NC)c(OC)n2)C1 InChI=1S/C34H36Cl2N8O4/c1-37-31(45)19-13-43(14-19)17-27-33(47-3)41-25(11-39-27)23-9-5-7-21(29(23)35)22-8-6-10-24(30(22)36)26-12-40-28(34(42-26)48-4)18-44-15-20(16-44)32(46)38-2/h5-12,19-20H,13-18H2,1-4H3,(H,37,45)(H,38,46) SOCNGTXFWVUAKV-UHFFFAOYSA-N 452414 US10710986, Example 555::US11555029, No. 555 Programmed cell death 1 ligand/protein 1 0.345 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452414&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429521 440968398 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244310 COc1nc(cnc1CN1CC(C1)NS(C)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)NS(C)(=O)=O)c(OC)n1 InChI=1S/C32H36Cl2N8O6S2/c1-47-31-27(17-41-13-19(14-41)39-49(3,43)44)35-11-25(37-31)23-9-5-7-21(29(23)33)22-8-6-10-24(30(22)34)26-12-36-28(32(38-26)48-2)18-42-15-20(16-42)40-50(4,45)46/h5-12,19-20,39-40H,13-18H2,1-4H3 XFMDZELJYNHLBZ-UHFFFAOYSA-N 452415 US10710986, Example 556::US11555029, No. 556 Programmed cell death 1 ligand/protein 1 0.176 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452415&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429523 440968399 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244311 CNC(=O)NC1CN(Cc2ncc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CNC[C@@H]3CCC(=O)N3)c(OC)n2)C1 InChI=1S/C34H37Cl2N9O4/c1-37-34(47)42-20-16-45(17-20)18-28-33(49-3)44-26(15-40-28)24-9-5-7-22(31(24)36)21-6-4-8-23(30(21)35)25-14-39-27(32(43-25)48-2)13-38-12-19-10-11-29(46)41-19/h4-9,14-15,19-20,38H,10-13,16-18H2,1-3H3,(H,41,46)(H2,37,42,47)/t19-/m0/s1 WFRBZAGWUCYKJL-IBGZPJMESA-N 452416 US10710986, Example 557::US11555029, No. 557 Programmed cell death 1 ligand/protein 1 0.090 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452416&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429524 440968400 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244312 CNC(=O)C1CN(Cc2ncc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CNC[C@@H]3CCC(=O)N3)c(OC)n2)C1 InChI=1S/C34H36Cl2N8O4/c1-37-32(46)19-16-44(17-19)18-28-34(48-3)43-26(15-40-28)24-9-5-7-22(31(24)36)21-6-4-8-23(30(21)35)25-14-39-27(33(42-25)47-2)13-38-12-20-10-11-29(45)41-20/h4-9,14-15,19-20,38H,10-13,16-18H2,1-3H3,(H,37,46)(H,41,45)/t20-/m0/s1 GWCIHNHWFRBBFD-FQEVSTJZSA-N 452417 US10710986, Example 558::US11555029, No. 558 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452417&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429527 440968401 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244313 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)NS(C)(=O)=O)c(OC)n1 InChI=1S/C33H36Cl2N8O5S/c1-47-32-27(13-36-12-19-10-11-29(44)39-19)37-14-25(40-32)23-8-4-6-21(30(23)34)22-7-5-9-24(31(22)35)26-15-38-28(33(41-26)48-2)18-43-16-20(17-43)42-49(3,45)46/h4-9,14-15,19-20,36,42H,10-13,16-18H2,1-3H3,(H,39,44)/t19-/m0/s1 OAPBPZPERZQMPB-IBGZPJMESA-N 452418 US10710986, Example 559::US11555029, No. 559 Programmed cell death 1 ligand/protein 1 0.120 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452418&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429522 440968402 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244314 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC2CS(=O)(=O)C2)c(OC)n1 InChI=1S/C32H33Cl2N7O5S/c1-45-31-26(12-35-11-18-9-10-28(42)39-18)37-13-24(40-31)22-7-3-5-20(29(22)33)21-6-4-8-23(30(21)34)25-14-38-27(32(41-25)46-2)15-36-19-16-47(43,44)17-19/h3-8,13-14,18-19,35-36H,9-12,15-17H2,1-2H3,(H,39,42)/t18-/m0/s1 KGXFXTIUOADVCI-SFHVURJKSA-N 452419 US10710986, Example 560::US11555029, No. 560 Programmed cell death 1 ligand/protein 1 0.144 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452419&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429525 440968403 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244315 COc1nc(cnc1CN[C@H]1C[C@](C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@](C)(O)C2)c(OC)n1 InChI=1S/C34H38Cl2N6O4/c1-33(43)11-19(12-33)37-17-27-31(45-3)41-25(15-39-27)23-9-5-7-21(29(23)35)22-8-6-10-24(30(22)36)26-16-40-28(32(42-26)46-4)18-38-20-13-34(2,44)14-20/h5-10,15-16,19-20,37-38,43-44H,11-14,17-18H2,1-4H3/t19-,20-,33-,34- XGYPFJOFHNFBAH-GESKAIKZSA-N 452420 US10710986, Example 561::US11555029, No. 561 Programmed cell death 1 ligand/protein 1 0.164 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452420&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430051 440968404 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244316 COc1nc(cnc1CNC[C@H]1C[C@@](C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@H]2C[C@@](C)(O)C2)c(OC)n1 InChI=1S/C36H42Cl2N6O4/c1-35(45)11-21(12-35)15-39-17-29-33(47-3)43-27(19-41-29)25-9-5-7-23(31(25)37)24-8-6-10-26(32(24)38)28-20-42-30(34(44-28)48-4)18-40-16-22-13-36(2,46)14-22/h5-10,19-22,39-40,45-46H,11-18H2,1-4H3/t21-,22-,35+,36+ BICNWVNITDNIAN-NAAHQQHGSA-N 452421 US10710986, Example 562::US11555029, No. 562 Programmed cell death 1 ligand/protein 1 0.151 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452421&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430050 440968405 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244317 COc1nc(cnc1CNC[C@H]1C[C@](C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@H]2C[C@](C)(O)C2)c(OC)n1 InChI=1S/C36H42Cl2N6O4/c1-35(45)11-21(12-35)15-39-17-29-33(47-3)43-27(19-41-29)25-9-5-7-23(31(25)37)24-8-6-10-26(32(24)38)28-20-42-30(34(44-28)48-4)18-40-16-22-13-36(2,46)14-22/h5-10,19-22,39-40,45-46H,11-18H2,1-4H3/t21-,22-,35-,36- BICNWVNITDNIAN-VXQCSHLZSA-N 452422 US10710986, Example 563::US11555029, No. 563 Programmed cell death 1 ligand/protein 1 0.431 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452422&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430050 440968406 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244318 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@](C)(O)C2)c(OC)n1 InChI=1S/C34H37Cl2N7O4/c1-34(45)12-20(13-34)38-18-28-33(47-3)43-26(17-40-28)24-9-5-7-22(31(24)36)21-6-4-8-23(30(21)35)25-16-39-27(32(42-25)46-2)15-37-14-19-10-11-29(44)41-19/h4-9,16-17,19-20,37-38,45H,10-15,18H2,1-3H3,(H,41,44)/t19-,20-,34-/m0/s1 HLALSDKBJREJKC-MSMKAVRHSA-N 452423 US10710986, Example 564::US11555029, No. 564 Programmed cell death 1 ligand/protein 1 0.200 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452423&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430048 440968407 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244319 CO[C@H]1C[C@H](CNCc2ncc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CNC[C@@H]3CCC(=O)N3)c(OC)n2)C1 InChI=1S/C35H39Cl2N7O4/c1-46-22-12-20(13-22)14-38-16-29-34(47-2)43-27(18-40-29)25-8-4-6-23(32(25)36)24-7-5-9-26(33(24)37)28-19-41-30(35(44-28)48-3)17-39-15-21-10-11-31(45)42-21/h4-9,18-22,38-39H,10-17H2,1-3H3,(H,42,45)/t20-,21-,22-/m0/s1 LYTOCGNHPHCLGG-FKBYEOEOSA-N 452424 US10710986, Example 565::US11555029, No. 565 Programmed cell death 1 ligand/protein 1 0.430 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452424&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430052 440968408 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244320 COc1nc(cnc1CNC[C@H]1C[C@@](C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C35H39Cl2N7O4/c1-35(46)12-20(13-35)14-38-16-28-33(47-2)43-26(18-40-28)24-8-4-6-22(31(24)36)23-7-5-9-25(32(23)37)27-19-41-29(34(44-27)48-3)17-39-15-21-10-11-30(45)42-21/h4-9,18-21,38-39,46H,10-17H2,1-3H3,(H,42,45)/t20-,21-,35+/m0/s1 SHBCMWCWLYCETJ-YFURKKGNSA-N 452425 US10710986, Example 566::US11555029, No. 566 Programmed cell death 1 ligand/protein 1 0.130 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452425&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430049 440968409 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244321 COc1nc(cnc1CNC[C@H]1C[C@](C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C35H39Cl2N7O4/c1-35(46)12-20(13-35)14-38-16-28-33(47-2)43-26(18-40-28)24-8-4-6-22(31(24)36)23-7-5-9-25(32(23)37)27-19-41-29(34(44-27)48-3)17-39-15-21-10-11-30(45)42-21/h4-9,18-21,38-39,46H,10-17H2,1-3H3,(H,42,45)/t20-,21-,35-/m0/s1 SHBCMWCWLYCETJ-XQANAMFCSA-N 452426 US10710986, Example 567::US11555029, No. 567 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452426&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430049 440968410 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244322 COc1nc(cnc1CNC[C@H]1CCS(=O)(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@H]2CCS(=O)(=O)N2)c(OC)n1 InChI=1S/C32H36Cl2N8O6S2/c1-47-31-27(15-35-13-19-9-11-49(43,44)41-19)37-17-25(39-31)23-7-3-5-21(29(23)33)22-6-4-8-24(30(22)34)26-18-38-28(32(40-26)48-2)16-36-14-20-10-12-50(45,46)42-20/h3-8,17-20,35-36,41-42H,9-16H2,1-2H3/t19-,20-/m1/s1 DHGTVHIPIVVOKU-WOJBJXKFSA-N 452427 US10710986, Example 568::US11555029, No. 568 Programmed cell death 1 ligand/protein 1 0.293 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452427&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430296 440968411 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244323 COc1nc(cnc1CNC[C@@H]1CCS(=O)(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCS(=O)(=O)N2)c(OC)n1 InChI=1S/C32H36Cl2N8O6S2/c1-47-31-27(15-35-13-19-9-11-49(43,44)41-19)37-17-25(39-31)23-7-3-5-21(29(23)33)22-6-4-8-24(30(22)34)26-18-38-28(32(40-26)48-2)16-36-14-20-10-12-50(45,46)42-20/h3-8,17-20,35-36,41-42H,9-16H2,1-2H3/t19-,20-/m0/s1 DHGTVHIPIVVOKU-PMACEKPBSA-N 452428 US10710986, Example 569::US11555029, No. 569 Programmed cell death 1 ligand/protein 1 0.590 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452428&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430299 440968412 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244324 COc1nc(cnc1CNCCCN1CCCS1(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCCCN2CCCS2(=O)=O)c(OC)n1 InChI=1S/C36H44Cl2N8O6S2/c1-51-35-31(21-39-13-5-15-45-17-7-19-53(45,47)48)41-23-29(43-35)27-11-3-9-25(33(27)37)26-10-4-12-28(34(26)38)30-24-42-32(36(44-30)52-2)22-40-14-6-16-46-18-8-20-54(46,49)50/h3-4,9-12,23-24,39-40H,5-8,13-22H2,1-2H3 IHGGVDWOYRRDMZ-UHFFFAOYSA-N 452429 US10710986, Example 570::US11555029, No. 570 Programmed cell death 1 ligand/protein 1 0.414 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452429&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430298 440968413 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244325 COc1nc(cnc1CN1CC(C1)NS(N)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)NS(N)(=O)=O)c(OC)n1 InChI=1S/C30H34Cl2N10O6S2/c1-47-29-25(15-41-11-17(12-41)39-49(33,43)44)35-9-23(37-29)21-7-3-5-19(27(21)31)20-6-4-8-22(28(20)32)24-10-36-26(30(38-24)48-2)16-42-13-18(14-42)40-50(34,45)46/h3-10,17-18,39-40H,11-16H2,1-2H3,(H2,33,43,44)(H2,34,45,46) XBBHHUJJDVTTLL-UHFFFAOYSA-N 452430 US10710986, Example 571::US11555029, No. 571 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452430&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430297 440968414 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244326 CNS(=O)(=O)CCNCc1ncc(nc1OC)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C32H36Cl2N8O5S/c1-35-48(44,45)13-12-36-15-26-31(46-2)41-24(17-38-26)22-8-4-6-20(29(22)33)21-7-5-9-23(30(21)34)25-18-39-27(32(42-25)47-3)16-37-14-19-10-11-28(43)40-19/h4-9,17-19,35-37H,10-16H2,1-3H3,(H,40,43)/t19-/m0/s1 BVFNNJUVZBKERC-IBGZPJMESA-N 452431 US10710986, Example 572::US11555029, No. 572 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452431&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430293 440968415 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244327 COc1nc(cnc1CNCCN1CCCS1(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C34H38Cl2N8O5S/c1-48-33-28(17-37-12-14-44-13-5-15-50(44,46)47)39-19-26(42-33)24-8-3-6-22(31(24)35)23-7-4-9-25(32(23)36)27-20-40-29(34(43-27)49-2)18-38-16-21-10-11-30(45)41-21/h3-4,6-9,19-21,37-38H,5,10-18H2,1-2H3,(H,41,45)/t21-/m0/s1 WUMCZMQQVZWKDR-NRFANRHFSA-N 452432 US10710986, Example 573::US11555029, No. 573 Programmed cell death 1 ligand/protein 1 0.089 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452432&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430294 440968416 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244328 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)S(C)(=O)=O)c(OC)n1 InChI=1S/C33H35Cl2N7O5S/c1-46-32-27(13-36-12-19-10-11-29(43)39-19)37-14-25(40-32)23-8-4-6-21(30(23)34)22-7-5-9-24(31(22)35)26-15-38-28(33(41-26)47-2)18-42-16-20(17-42)48(3,44)45/h4-9,14-15,19-20,36H,10-13,16-18H2,1-3H3,(H,39,43)/t19-/m0/s1 JHSSUDONDJZYLW-IBGZPJMESA-N 452433 US10710986, Example 574::US11555029, No. 574 Programmed cell death 1 ligand/protein 1 0.133 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452433&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430295 440968417 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244329 COc1nc(cnc1CNCCNS(C)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCCNS(C)(=O)=O)c(OC)n1 InChI=1S/C30H36Cl2N8O6S2/c1-45-29-25(15-33-11-13-37-47(3,41)42)35-17-23(39-29)21-9-5-7-19(27(21)31)20-8-6-10-22(28(20)32)24-18-36-26(30(40-24)46-2)16-34-12-14-38-48(4,43)44/h5-10,17-18,33-34,37-38H,11-16H2,1-4H3 WPUADMFGZGDYSY-UHFFFAOYSA-N 452434 US10710986, Example 575::US11555029, No. 575 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452434&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429393 440968418 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244330 COc1nc(cnc1CNCC1CCS(=O)(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2CCS(=O)(=O)N2)c(OC)n1 InChI=1S/C32H36Cl2N8O6S2/c1-47-31-27(15-35-13-19-9-11-49(43,44)41-19)37-17-25(39-31)23-7-3-5-21(29(23)33)22-6-4-8-24(30(22)34)26-18-38-28(32(40-26)48-2)16-36-14-20-10-12-50(45,46)42-20/h3-8,17-20,35-36,41-42H,9-16H2,1-2H3 DHGTVHIPIVVOKU-UHFFFAOYSA-N 452435 US10710986, Example 576::US11555029, No. 576 Programmed cell death 1 ligand/protein 1 0.641 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452435&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429390 440968419 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244331 COc1nc(cnc1CNCCCS(N)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C32H36Cl2N8O5S/c1-46-31-26(15-36-12-5-13-48(35,44)45)38-17-24(41-31)22-8-3-6-20(29(22)33)21-7-4-9-23(30(21)34)25-18-39-27(32(42-25)47-2)16-37-14-19-10-11-28(43)40-19/h3-4,6-9,17-19,36-37H,5,10-16H2,1-2H3,(H,40,43)(H2,35,44,45)/t19-/m0/s1 JMIQORJOERFUKP-IBGZPJMESA-N 452436 US10710986, Example 577::US11555029, No. 577 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452436&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429391 440968420 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244332 CCNC(=O)CNCc1ncc(nc1OC)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C33H36Cl2N8O4/c1-4-38-29(45)18-37-15-27-33(47-3)43-25(17-40-27)23-10-6-8-21(31(23)35)20-7-5-9-22(30(20)34)24-16-39-26(32(42-24)46-2)14-36-13-19-11-12-28(44)41-19/h5-10,16-17,19,36-37H,4,11-15,18H2,1-3H3,(H,38,45)(H,41,44)/t19-/m0/s1 HSDNPNGUPOTCSY-IBGZPJMESA-N 452437 US10710986, Example 578::US11555029, No. 578 Programmed cell death 1 ligand/protein 1 0.182 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452437&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429394 440968421 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244333 COc1nc(cnc1CNC[C@H]1CCOC1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@H]2CCOC2)c(OC)n1 InChI=1S/C34H38Cl2N6O4/c1-43-33-29(15-37-13-21-9-11-45-19-21)39-17-27(41-33)25-7-3-5-23(31(25)35)24-6-4-8-26(32(24)36)28-18-40-30(34(42-28)44-2)16-38-14-22-10-12-46-20-22/h3-8,17-18,21-22,37-38H,9-16,19-20H2,1-2H3/t21-,22-/m1/s1 MAEQDDUTELUGMX-FGZHOGPDSA-N 452438 US10710986, Example 579::US11555029, No. 579 Programmed cell death 1 ligand/protein 1 0.782 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452438&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429389 440968422 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244334 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN(C)C[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C35H38Cl2N8O4/c1-45(18-21-11-13-31(47)42-21)19-29-35(49-3)44-27(17-40-29)25-9-5-7-23(33(25)37)22-6-4-8-24(32(22)36)26-16-39-28(34(43-26)48-2)15-38-14-20-10-12-30(46)41-20/h4-9,16-17,20-21,38H,10-15,18-19H2,1-3H3,(H,41,46)(H,42,47)/t20-,21-/m0/s1 SDALLXHQPPAWAG-SFTDATJTSA-N 452439 US10710986, Example 580::US11555029, No. 580 Programmed cell death 1 ligand/protein 1 0.359 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452439&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429392 440968423 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244335 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC(=O)NC(C)C)c(OC)n1 InChI=1S/C34H38Cl2N8O4/c1-19(2)41-30(46)18-38-15-28-34(48-4)44-26(17-40-28)24-10-6-8-22(32(24)36)21-7-5-9-23(31(21)35)25-16-39-27(33(43-25)47-3)14-37-13-20-11-12-29(45)42-20/h5-10,16-17,19-20,37-38H,11-15,18H2,1-4H3,(H,41,46)(H,42,45)/t20-/m0/s1 MYODCKZTLKGEAV-FQEVSTJZSA-N 452440 US10710986, Example 581::US11555029, No. 581 Programmed cell death 1 ligand/protein 1 0.201 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452440&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429388 440968424 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244336 COc1nc(ccc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NCCN2)c(OC)n1 InChI=1S/C27H24Cl2N6O2/c1-36-26-15(13-30)9-10-20(34-26)18-7-3-5-16(22(18)28)17-6-4-8-19(23(17)29)21-14-33-24(27(35-21)37-2)25-31-11-12-32-25/h3-10,14H,11-13,30H2,1-2H3,(H,31,32) QTPQGKVJKNBALC-UHFFFAOYSA-N 452441 US10710986, Example 582::US11555029, No. 582 Programmed cell death 1 ligand/protein 1 0.190 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452441&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429395 440968425 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244337 COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(C2=NCCN2)c(OC)n1 InChI=1S/C27H24Cl2N6O2/c1-36-26-19(25-31-11-12-32-25)9-10-20(34-26)17-7-3-5-15(23(17)28)16-6-4-8-18(24(16)29)22-14-33-21(13-30)27(35-22)37-2/h3-10,14H,11-13,30H2,1-2H3,(H,31,32) SHBWDZYMGZAZER-UHFFFAOYSA-N 452442 US10710986, Example 583::US11555029, No. 583 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452442&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430481 440968426 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244338 COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NCCN2)c(OC)n1 InChI=1S/C26H23Cl2N7O2/c1-36-25-18(11-29)32-12-19(34-25)16-7-3-5-14(21(16)27)15-6-4-8-17(22(15)28)20-13-33-23(26(35-20)37-2)24-30-9-10-31-24/h3-8,12-13H,9-11,29H2,1-2H3,(H,30,31) GRDNFOZMEBGKCC-UHFFFAOYSA-N 452443 US10710986, Example 584::US11555029, No. 584 Programmed cell death 1 ligand/protein 1 0.118 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452443&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430482 440968427 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244339 COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](C2)C(O)=O)c(OC)n1 InChI=1S/C29H28Cl2N6O4/c1-40-27-21(11-32)33-12-22(35-27)19-7-3-5-17(25(19)30)18-6-4-8-20(26(18)31)23-13-34-24(28(36-23)41-2)15-37-10-9-16(14-37)29(38)39/h3-8,12-13,16H,9-11,14-15,32H2,1-2H3,(H,38,39)/t16-/m0/s1 MXLOFQPEVJGHCP-INIZCTEOSA-N 452444 US10710986, Example 585::US11555029, No. 585 Programmed cell death 1 ligand/protein 1 0.442 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452444&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430483 440968428 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244340 COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@H](O)C2)c(OC)n1 InChI=1S/C28H28Cl2N6O3/c1-38-27-21(11-31)32-12-22(34-27)19-7-3-5-17(25(19)29)18-6-4-8-20(26(18)30)23-13-33-24(28(35-23)39-2)15-36-10-9-16(37)14-36/h3-8,12-13,16,37H,9-11,14-15,31H2,1-2H3/t16-/m0/s1 SGKZZPCNYTYZPG-INIZCTEOSA-N 452445 US10710986, Example 586::US11555029, No. 586 Programmed cell death 1 ligand/protein 1 0.290 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452445&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430484 440968429 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244341 COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](O)C2)c(OC)n1 InChI=1S/C28H28Cl2N6O3/c1-38-27-21(11-31)32-12-22(34-27)19-7-3-5-17(25(19)29)18-6-4-8-20(26(18)30)23-13-33-24(28(35-23)39-2)15-36-10-9-16(37)14-36/h3-8,12-13,16,37H,9-11,14-15,31H2,1-2H3/t16-/m1/s1 SGKZZPCNYTYZPG-MRXNPFEDSA-N 452446 US10710986, Example 587::US11555029, No. 587 Programmed cell death 1 ligand/protein 1 0.515 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452446&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430475 440968430 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244342 COc1nc(cnc1CNCC1(O)COC1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2(O)COC2)c(OC)n1 InChI=1S/C32H34Cl2N6O6/c1-43-29-25(9-35-13-31(41)15-45-16-31)37-11-23(39-29)21-7-3-5-19(27(21)33)20-6-4-8-22(28(20)34)24-12-38-26(30(40-24)44-2)10-36-14-32(42)17-46-18-32/h3-8,11-12,35-36,41-42H,9-10,13-18H2,1-2H3 SKQFIJYTCDARQX-UHFFFAOYSA-N 452447 US10710986, Example 588::US11555029, No. 588 Programmed cell death 1 ligand/protein 1 0.170 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452447&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430478 440968431 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244343 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2(O)COC2)c(OC)n1 InChI=1S/C33H35Cl2N7O5/c1-45-31-26(12-36-11-19-9-10-28(43)40-19)38-14-24(41-31)22-7-3-5-20(29(22)34)21-6-4-8-23(30(21)35)25-15-39-27(32(42-25)46-2)13-37-16-33(44)17-47-18-33/h3-8,14-15,19,36-37,44H,9-13,16-18H2,1-2H3,(H,40,43)/t19-/m0/s1 FPRPDIKKFLWRLM-IBGZPJMESA-N 452448 US10710986, Example 589::US11555029, No. 589 Programmed cell death 1 ligand/protein 1 0.291 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452448&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430480 440968432 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244344 COc1nc(cnc1CN[C@H](C1CC1)[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H](C2CC2)[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C40H44Cl2N8O4/c1-53-39-31(19-45-37(21-9-10-21)27-13-15-33(51)47-27)43-17-29(49-39)25-7-3-5-23(35(25)41)24-6-4-8-26(36(24)42)30-18-44-32(40(50-30)54-2)20-46-38(22-11-12-22)28-14-16-34(52)48-28/h3-8,17-18,21-22,27-28,37-38,45-46H,9-16,19-20H2,1-2H3,(H,47,51)(H,48,52)/t27-,28-,37+,38+/m0/s1 HVLYVOQVORPRMR-DJQGALRVSA-N 452449 US10710986, Example 590::US11555029, No. 590 Programmed cell death 1 ligand/protein 1 0.131 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452449&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430477 440968433 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244345 COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(OC)n1 InChI=1S/C30H29Cl2N7O3/c1-41-28-21(10-33)34-11-22(37-28)19-7-3-5-17(26(19)31)18-6-4-8-20(27(18)32)23-12-35-24(29(38-23)42-2)13-39-15-30(16-39)9-25(40)36-14-30/h3-8,11-12H,9-10,13-16,33H2,1-2H3,(H,36,40) IHASWDNPIGSIEE-UHFFFAOYSA-N 452450 US10710986, Example 591::US11555029, No. 591 Programmed cell death 1 ligand/protein 1 0.138 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452450&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430479 440968434 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244346 COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC2C[C@@](C)(O)C2)c(OC)n1 InChI=1S/C29H30Cl2N6O3/c1-29(38)10-16(11-29)33-15-24-28(40-3)37-23(14-35-24)20-9-5-7-18(26(20)31)17-6-4-8-19(25(17)30)22-13-34-21(12-32)27(36-22)39-2/h4-9,13-14,16,33,38H,10-12,15,32H2,1-3H3/t16?,29- GLGXDZWNJKPHOQ-GIJILJKHSA-N 452451 US10710986, Example 592::US11555029, No. 592 Programmed cell death 1 ligand/protein 1 0.151 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452451&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430333 440968435 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244347 COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)C(C)(C)O)c(OC)n1 InChI=1S/C30H32Cl2N6O3/c1-30(2,39)17-14-38(15-17)16-25-29(41-4)37-24(13-35-25)21-10-6-8-19(27(21)32)18-7-5-9-20(26(18)31)23-12-34-22(11-33)28(36-23)40-3/h5-10,12-13,17,39H,11,14-16,33H2,1-4H3 WVEGHWUDLPGTIC-UHFFFAOYSA-N 452452 US10710986, Example 593::US11555029, No. 593 Programmed cell death 1 ligand/protein 1 0.346 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452452&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430340 440968436 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244348 COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(O)C2)c(OC)n1 InChI=1S/C27H26Cl2N6O3/c1-37-26-20(9-30)31-10-21(33-26)18-7-3-5-16(24(18)28)17-6-4-8-19(25(17)29)22-11-32-23(27(34-22)38-2)14-35-12-15(36)13-35/h3-8,10-11,15,36H,9,12-14,30H2,1-2H3 NSZXPNYXQDZNQF-UHFFFAOYSA-N 452453 US10710986, Example 594::US11555029, No. 594 Programmed cell death 1 ligand/protein 1 0.120 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452453&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430341 440968437 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244349 COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CCC(=O)N3)c(OC)n1 InChI=1S/C30H29Cl2N7O3/c1-41-28-21(11-33)34-12-22(36-28)19-7-3-5-17(26(19)31)18-6-4-8-20(27(18)32)23-13-35-24(29(37-23)42-2)14-39-15-30(16-39)10-9-25(40)38-30/h3-8,12-13H,9-11,14-16,33H2,1-2H3,(H,38,40) OTMAALIIYKCYAR-UHFFFAOYSA-N 452454 US10710986, Example 595::US11555029, No. 595 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452454&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430353 440968438 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244350 COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(O)C2)c(OC)n1 InChI=1S/C28H28Cl2N6O3/c1-28(37)14-36(15-28)13-23-27(39-3)35-22(12-33-23)19-9-5-7-17(25(19)30)16-6-4-8-18(24(16)29)21-11-32-20(10-31)26(34-21)38-2/h4-9,11-12,37H,10,13-15,31H2,1-3H3 XRVFNZAHRJOTHZ-UHFFFAOYSA-N 452455 US10710986, Example 596::US11555029, No. 596 Programmed cell death 1 ligand/protein 1 0.181 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452455&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430347 440968439 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244351 COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CN(C3)C(C)=O)c(OC)n1 InChI=1S/C31H31Cl2N7O3/c1-18(41)40-16-31(17-40)14-39(15-31)13-26-30(43-3)38-25(12-36-26)22-9-5-7-20(28(22)33)19-6-4-8-21(27(19)32)24-11-35-23(10-34)29(37-24)42-2/h4-9,11-12H,10,13-17,34H2,1-3H3 BCEUERXBDHODQZ-UHFFFAOYSA-N 452456 US10710986, Example 597::US11555029, No. 597 Programmed cell death 1 ligand/protein 1 0.129 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452456&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457703 440968440 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244352 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H](C)[C@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C35H38Cl2N8O4/c1-19(25-11-13-31(47)43-25)39-18-29-35(49-3)45-27(17-41-29)24-9-5-7-22(33(24)37)21-6-4-8-23(32(21)36)26-16-40-28(34(44-26)48-2)15-38-14-20-10-12-30(46)42-20/h4-9,16-17,19-20,25,38-39H,10-15,18H2,1-3H3,(H,42,46)(H,43,47)/t19-,20-,25+/m0/s1 PCSFAVHZOFTNBT-ZYLNGJIFSA-N 452457 US10710986, Example 598::US11555029, No. 598 Programmed cell death 1 ligand/protein 1 0.178 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452457&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430338 440968441 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244353 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H](C)[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C35H38Cl2N8O4/c1-19(25-11-13-31(47)43-25)39-18-29-35(49-3)45-27(17-41-29)24-9-5-7-22(33(24)37)21-6-4-8-23(32(21)36)26-16-40-28(34(44-26)48-2)15-38-14-20-10-12-30(46)42-20/h4-9,16-17,19-20,25,38-39H,10-15,18H2,1-3H3,(H,42,46)(H,43,47)/t19-,20+,25+/m1/s1 PCSFAVHZOFTNBT-RNHFSVANSA-N 452458 US10710986, Example 599::US11555029, No. 599 Programmed cell death 1 ligand/protein 1 0.174 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452458&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430342 440968442 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244354 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@@](O)(CO)C2)c(OC)n1 InChI=1S/C34H37Cl2N7O5/c1-47-32-27(14-37-13-19-9-10-29(45)41-19)39-15-25(42-32)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-16-40-28(33(43-26)48-2)17-38-20-11-34(46,12-20)18-44/h3-8,15-16,19-20,37-38,44,46H,9-14,17-18H2,1-2H3,(H,41,45)/t19-,20-,34-/m0/s1 URGQMOIAIMERLT-MSMKAVRHSA-N 452459 US10710986, Example 600::US11555029, No. 600 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452459&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430362 440968443 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244355 COc1nc(cnc1CN[C@H](C)[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H](C)[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C36H40Cl2N8O4/c1-19(25-11-13-31(47)43-25)39-17-29-35(49-3)45-27(15-41-29)23-9-5-7-21(33(23)37)22-8-6-10-24(34(22)38)28-16-42-30(36(46-28)50-4)18-40-20(2)26-12-14-32(48)44-26/h5-10,15-16,19-20,25-26,39-40H,11-14,17-18H2,1-4H3,(H,43,47)(H,44,48)/t19-,20-,25+,26+/m1/s1 PEQHTYJDSRWJFM-RGOSMPGBSA-N 452460 US10710986, Example 601::US11555029, No. 601 Programmed cell death 1 ligand/protein 1 0.196 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452460&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430364 440968444 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244356 COc1nc(cnc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CCC4(CCC(=O)N4)C3)cn(C)c2n1 InChI=1S/C38H39Cl2N9O3/c1-48-19-22(20-49-14-13-38(21-49)12-11-32(51)47-38)35-36(48)45-28(18-43-35)26-7-3-5-24(33(26)39)25-6-4-8-27(34(25)40)29-17-42-30(37(46-29)52-2)16-41-15-23-9-10-31(50)44-23/h3-8,17-19,23,41H,9-16,20-21H2,1-2H3,(H,44,50)(H,47,51)/t23-,38?/m1/s1 DZMDSDQNVNKWTB-KYCCWORLSA-N 452461 US10710986, Example 602::US11555029, No. 602 Programmed cell death 1 ligand/protein 1 0.145 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452461&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430366 440968445 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244357 COc1nc(cnc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CNC[C@H]3C[C@H](O)C3)cn(C)c2n1 InChI=1S/C36H38Cl2N8O3/c1-46-19-21(14-39-13-20-11-23(47)12-20)34-35(46)44-28(18-42-34)26-7-3-5-24(32(26)37)25-6-4-8-27(33(25)38)29-17-41-30(36(45-29)49-2)16-40-15-22-9-10-31(48)43-22/h3-8,17-20,22-23,39-40,47H,9-16H2,1-2H3,(H,43,48)/t20-,22-,23-/m1/s1 CBSCMWCWKDLTEY-YMPZKCBVSA-N 452462 US10710986, Example 603::US11555029, No. 603 Programmed cell death 1 ligand/protein 1 0.073 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452462&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430361 440968446 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244358 COc1nc(cnc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CN(C4)C(C)=O)cn(C)c2n1 InChI=1S/C38H39Cl2N9O3/c1-22(50)49-20-38(21-49)18-48(19-38)17-23-16-47(2)36-35(23)43-15-29(45-36)27-8-4-6-25(33(27)39)26-7-5-9-28(34(26)40)30-14-42-31(37(46-30)52-3)13-41-12-24-10-11-32(51)44-24/h4-9,14-16,24,41H,10-13,17-21H2,1-3H3,(H,44,51)/t24-/m1/s1 MWHCPTUJRAHBOM-XMMPIXPASA-N 452463 US10710986, Example 604::US11555029, No. 604 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452463&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457840 440968447 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244359 COc1nc(cnc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CNC(=O)C4)cn(C)c2n1 InChI=1S/C37H37Cl2N9O3/c1-47-16-21(17-48-19-37(20-48)11-31(50)43-18-37)34-35(47)45-27(15-42-34)25-7-3-5-23(32(25)38)24-6-4-8-26(33(24)39)28-14-41-29(36(46-28)51-2)13-40-12-22-9-10-30(49)44-22/h3-8,14-16,22,40H,9-13,17-20H2,1-2H3,(H,43,50)(H,44,49)/t22-/m1/s1 LYJLULDBNDGADU-JOCHJYFZSA-N 452464 US10710986, Example 605::US11555029, No. 605 Programmed cell death 1 ligand/protein 1 0.113 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452464&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430365 440968448 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244360 COc1nc(cnc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CNC[C@@H]3CCC(=O)N3)cn(C)c2n1 InChI=1S/C36H37Cl2N9O3/c1-47-19-20(13-39-14-21-9-11-30(48)43-21)34-35(47)45-27(18-42-34)25-7-3-5-23(32(25)37)24-6-4-8-26(33(24)38)28-17-41-29(36(46-28)50-2)16-40-15-22-10-12-31(49)44-22/h3-8,17-19,21-22,39-40H,9-16H2,1-2H3,(H,43,48)(H,44,49)/t21-,22+/m0/s1 KEPAQTRQSCIGBM-FCHUYYIVSA-N 452465 US10710986, Example 606::US11555029, No. 606 Programmed cell death 1 ligand/protein 1 0.077 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452465&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430055 440968449 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244361 COc1nc(cnc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CNC(=O)C4)cn(C)c2n1 InChI=1S/C38H37Cl2N9O3/c1-47-13-22(14-48-18-37(19-48)9-30(50)43-16-37)34-35(47)45-27(12-42-34)25-7-3-5-23(32(25)39)24-6-4-8-26(33(24)40)28-11-41-29(36(46-28)52-2)15-49-20-38(21-49)10-31(51)44-17-38/h3-8,11-13H,9-10,14-21H2,1-2H3,(H,43,50)(H,44,51) DXLKIXGOOWXPPD-UHFFFAOYSA-N 452466 US10710986, Example 607::US11555029, No. 607 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452466&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430065 440968450 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244362 CCn1cc(CN2CC3(C2)CN(C3)C(C)=O)c2ncc(nc12)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CN(C3)C(C)=O)c(OC)n1 InChI=1S/C41H43Cl2N9O3/c1-5-50-15-27(14-48-17-40(18-48)21-51(22-40)25(2)53)37-38(50)46-32(13-45-37)30-10-6-8-28(35(30)42)29-9-7-11-31(36(29)43)33-12-44-34(39(47-33)55-4)16-49-19-41(20-49)23-52(24-41)26(3)54/h6-13,15H,5,14,16-24H2,1-4H3 UIUIBHYWCIYYAB-UHFFFAOYSA-N 452467 US10710986, Example 608::US11555029, No. 608 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452467&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457622 440968451 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244363 CCn1cc(CN2CC3(C2)CNC(=O)C3)c2ncc(nc12)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(OC)n1 InChI=1S/C39H39Cl2N9O3/c1-3-50-15-23(14-48-19-38(20-48)10-31(51)44-17-38)35-36(50)46-28(13-43-35)26-8-4-6-24(33(26)40)25-7-5-9-27(34(25)41)29-12-42-30(37(47-29)53-2)16-49-21-39(22-49)11-32(52)45-18-39/h4-9,12-13,15H,3,10-11,14,16-22H2,1-2H3,(H,44,51)(H,45,52) FQYOJGHFXFGSCO-UHFFFAOYSA-N 452468 US10710986, Example 609::US11555029, No. 609 Programmed cell death 1 ligand/protein 1 0.079 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452468&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457772 440968452 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244364 CCn1cc(CN2CC3(C2)CCC(=O)N3)c2ncc(nc12)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CCC(=O)N3)c(OC)n1 InChI=1S/C39H39Cl2N9O3/c1-3-50-17-23(16-48-19-38(20-48)12-10-31(51)46-38)35-36(50)44-28(15-43-35)26-8-4-6-24(33(26)40)25-7-5-9-27(34(25)41)29-14-42-30(37(45-29)53-2)18-49-21-39(22-49)13-11-32(52)47-39/h4-9,14-15,17H,3,10-13,16,18-22H2,1-2H3,(H,46,51)(H,47,52) KTMGFFXUHRNORJ-UHFFFAOYSA-N 452469 US10710986, Example 610::US11555029, No. 610 Programmed cell death 1 ligand/protein 1 0.313 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452469&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457842 440968453 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244365 CCn1cc(CN2CC(O)C2)c2ncc(nc12)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(O)C2)c(OC)n1 InChI=1S/C33H33Cl2N7O3/c1-3-42-13-19(12-40-14-20(43)15-40)31-32(42)38-26(11-37-31)24-8-4-6-22(29(24)34)23-7-5-9-25(30(23)35)27-10-36-28(33(39-27)45-2)18-41-16-21(44)17-41/h4-11,13,20-21,43-44H,3,12,14-18H2,1-2H3 HONHATFQSSFDPM-UHFFFAOYSA-N 452470 US10710986, Example 611::US11555029, No. 611 Programmed cell death 1 ligand/protein 1 0.210 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452470&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457774 440968454 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244366 COc1nc(cnc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CN(C4)C(C)=O)cn(C)c2n1 InChI=1S/C40H41Cl2N9O3/c1-24(52)50-20-39(21-50)16-48(17-39)14-26-13-47(3)37-36(26)44-12-31(45-37)29-9-5-7-27(34(29)41)28-8-6-10-30(35(28)42)32-11-43-33(38(46-32)54-4)15-49-18-40(19-49)22-51(23-40)25(2)53/h5-13H,14-23H2,1-4H3 HUAJBEAQNQTNMI-UHFFFAOYSA-N 452471 US10710986, Example 612::US11555029, No. 612 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452471&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457773 440968455 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244367 COc1nc(cnc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CCC(=O)N4)cn(C)c2n1 InChI=1S/C38H37Cl2N9O3/c1-47-15-22(16-48-18-37(19-48)11-9-30(50)45-37)34-35(47)43-27(14-42-34)25-7-3-5-23(32(25)39)24-6-4-8-26(33(24)40)28-13-41-29(36(44-28)52-2)17-49-20-38(21-49)12-10-31(51)46-38/h3-8,13-15H,9-12,16-21H2,1-2H3,(H,45,50)(H,46,51) ZPGKBXJPRQFZIA-UHFFFAOYSA-N 452472 US10710986, Example 613::US11555029, No. 613 Programmed cell death 1 ligand/protein 1 0.182 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452472&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457841 440968456 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244368 COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1F)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C35H37ClFN7O4/c1-47-34-20(15-38-16-21-10-13-30(45)41-21)9-12-27(43-34)25-7-3-5-23(32(25)36)24-6-4-8-26(33(24)37)28-19-40-29(35(44-28)48-2)18-39-17-22-11-14-31(46)42-22/h3-9,12,19,21-22,38-39H,10-11,13-18H2,1-2H3,(H,41,45)(H,42,46)/t21-,22-/m0/s1 HVWGSVBFWYGPSR-VXKWHMMOSA-N 452473 US10710986, Example 614::US11555029, No. 614 Programmed cell death 1 ligand/protein 1 0.079 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452473&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430463 440968457 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244369 COc1nc(ccc1CNCCO)-c1cccc(c1Cl)-c1cccc(c1F)-c1cnc(CNCCO)c(OC)n1 InChI=1S/C29H31ClFN5O4/c1-39-28-18(15-32-11-13-37)9-10-23(35-28)21-7-3-5-19(26(21)30)20-6-4-8-22(27(20)31)24-17-34-25(16-33-12-14-38)29(36-24)40-2/h3-10,17,32-33,37-38H,11-16H2,1-2H3 BGXYNTKHIVIDSM-UHFFFAOYSA-N 452474 US10710986, Example 615::US11555029, No. 615 Programmed cell death 1 ligand/protein 1 0.291 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452474&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430461 440968458 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244370 COc1nc(ccc1CN1CC[C@@H](CO)C1)-c1cccc(c1Cl)-c1cccc(c1F)-c1cnc(CN2CC[C@@H](CO)C2)c(OC)n1 InChI=1S/C35H39ClFN5O4/c1-45-34-24(18-41-13-11-22(16-41)20-43)9-10-29(39-34)27-7-3-5-25(32(27)36)26-6-4-8-28(33(26)37)30-15-38-31(35(40-30)46-2)19-42-14-12-23(17-42)21-44/h3-10,15,22-23,43-44H,11-14,16-21H2,1-2H3/t22-,23-/m1/s1 WMKKJQHWBVTWHI-DHIUTWEWSA-N 452475 US10710986, Example 616::US11555029, No. 616 Programmed cell death 1 ligand/protein 1 0.069 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452475&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430469 440968459 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244371 COc1nc(ccc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1F)-c1cnc(CN2CC3(C2)CN(C3)C(C)=O)c(OC)n1 InChI=1S/C39H41ClFN7O4/c1-24(49)47-20-38(21-47)16-45(17-38)14-26-11-12-31(43-36(26)51-3)29-9-5-7-27(34(29)40)28-8-6-10-30(35(28)41)32-13-42-33(37(44-32)52-4)15-46-18-39(19-46)22-48(23-39)25(2)50/h5-13H,14-23H2,1-4H3 YJTAVOLTYVVQJM-UHFFFAOYSA-N 452476 US10710986, Example 617::US11555029, No. 617 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452476&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457626 440968460 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244372 COc1nc(ccc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1F)-c1cnc(CN2CC3(C2)CCC(=O)N3)c(OC)n1 InChI=1S/C37H37ClFN7O4/c1-49-34-22(16-45-18-36(19-45)13-11-30(47)43-36)9-10-27(41-34)25-7-3-5-23(32(25)38)24-6-4-8-26(33(24)39)28-15-40-29(35(42-28)50-2)17-46-20-37(21-46)14-12-31(48)44-37/h3-10,15H,11-14,16-21H2,1-2H3,(H,43,47)(H,44,48) KRCJBJUJLGOLRV-UHFFFAOYSA-N 452477 US10710986, Example 618::US11555029, No. 618 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452477&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430466 440968461 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244373 COc1nc(ccc1CN1CC(O)C1)-c1cccc(c1Cl)-c1cccc(c1F)-c1cnc(CN2CC(O)C2)c(OC)n1 InChI=1S/C31H31ClFN5O4/c1-41-30-18(12-37-13-19(39)14-37)9-10-25(35-30)23-7-3-5-21(28(23)32)22-6-4-8-24(29(22)33)26-11-34-27(31(36-26)42-2)17-38-15-20(40)16-38/h3-11,19-20,39-40H,12-17H2,1-2H3 IDYBQDQDVBKLDU-UHFFFAOYSA-N 452478 US10710986, Example 619::US11555029, No. 619 Programmed cell death 1 ligand/protein 1 0.178 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452478&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430468 440968462 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244374 COc1nc(cnc1CNCCOc1ccccn1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C36H36Cl2N8O4/c1-48-35-29(18-39-15-16-50-32-11-3-4-14-41-32)42-20-27(45-35)25-9-5-7-23(33(25)37)24-8-6-10-26(34(24)38)28-21-43-30(36(46-28)49-2)19-40-17-22-12-13-31(47)44-22/h3-11,14,20-22,39-40H,12-13,15-19H2,1-2H3,(H,44,47)/t22-/m0/s1 XMWBFRGSBOGTPR-QFIPXVFZSA-N 452479 US10710986, Example 620::US11555029, No. 620 Programmed cell death 1 ligand/protein 1 0.101 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452479&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429918 440968463 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244375 COc1nc(cnc1CN1CC(C)(N)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(N)C2)c(OC)n1 InChI=1S/C32H36Cl2N8O2/c1-31(35)15-41(16-31)13-25-29(43-3)39-23(11-37-25)21-9-5-7-19(27(21)33)20-8-6-10-22(28(20)34)24-12-38-26(30(40-24)44-4)14-42-17-32(2,36)18-42/h5-12H,13-18,35-36H2,1-4H3 LYBLRIYUDYECCK-UHFFFAOYSA-N 452480 US10710986, Example 621::US11555029, No. 621 Programmed cell death 1 ligand/protein 1 1.05 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452480&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429916 440968464 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244376 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(N)C2)c(OC)n1 InChI=1S/C33H36Cl2N8O3/c1-33(36)17-43(18-33)16-27-32(46-3)42-25(15-39-27)23-9-5-7-21(30(23)35)20-6-4-8-22(29(20)34)24-14-38-26(31(41-24)45-2)13-37-12-19-10-11-28(44)40-19/h4-9,14-15,19,37H,10-13,16-18,36H2,1-3H3,(H,40,44)/t19-/m0/s1 NEIPZBAFSNPWQU-IBGZPJMESA-N 452481 US10710986, Example 622::US11555029, No. 622 Programmed cell death 1 ligand/protein 1 0.260 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452481&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429917 440968465 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244377 COc1nc(cnc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-13-19-9-11-29(45)41-19)39-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-40-28(34(44-26)48-2)16-38-14-20-10-12-30(46)42-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,41,45)(H,42,46)/t19-,20+ OIIOPWHTJZYKIL-BGYRXZFFSA-N 452482 US10710986, Example 623::US11555029, No. 623 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452482&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429921 440968466 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244378 COc1nc(cnc1CN1CC[C@H](CO)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@H](CO)C2)c(OC)n1 InChI=1S/C34H38Cl2N6O4/c1-45-33-29(17-41-11-9-21(15-41)19-43)37-13-27(39-33)25-7-3-5-23(31(25)35)24-6-4-8-26(32(24)36)28-14-38-30(34(40-28)46-2)18-42-12-10-22(16-42)20-44/h3-8,13-14,21-22,43-44H,9-12,15-20H2,1-2H3/t21-,22-/m0/s1 PZKLGTGGACEOKX-VXKWHMMOSA-N 452483 US10710986, Example 624::US11555029, No. 624 Programmed cell death 1 ligand/protein 1 0.152 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452483&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429919 440968467 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244379 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@H](CO)C2)c(OC)n1 InChI=1S/C34H37Cl2N7O4/c1-46-33-28(14-37-13-21-9-10-30(45)40-21)38-15-26(41-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-16-39-29(34(42-27)47-2)18-43-12-11-20(17-43)19-44/h3-8,15-16,20-21,37,44H,9-14,17-19H2,1-2H3,(H,40,45)/t20-,21-/m0/s1 LMTUJRHRCPSAGR-SFTDATJTSA-N 452484 US10710986, Example 625::US11555029, No. 625 Programmed cell death 1 ligand/protein 1 0.074 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452484&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429914 440968468 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244380 COc1nc(cnc1CN1CC[C@@H](CO)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](CO)C2)c(OC)n1 InChI=1S/C34H38Cl2N6O4/c1-45-33-29(17-41-11-9-21(15-41)19-43)37-13-27(39-33)25-7-3-5-23(31(25)35)24-6-4-8-26(32(24)36)28-14-38-30(34(40-28)46-2)18-42-12-10-22(16-42)20-44/h3-8,13-14,21-22,43-44H,9-12,15-20H2,1-2H3/t21-,22-/m1/s1 PZKLGTGGACEOKX-FGZHOGPDSA-N 452485 US10710986, Example 626::US11555029, No. 626 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452485&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429913 440968469 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244381 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](CO)C2)c(OC)n1 InChI=1S/C34H37Cl2N7O4/c1-46-33-28(14-37-13-21-9-10-30(45)40-21)38-15-26(41-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-16-39-29(34(42-27)47-2)18-43-12-11-20(17-43)19-44/h3-8,15-16,20-21,37,44H,9-14,17-19H2,1-2H3,(H,40,45)/t20-,21+/m1/s1 LMTUJRHRCPSAGR-RTWAWAEBSA-N 452486 US10710986, Example 627::US11555029, No. 627 Programmed cell death 1 ligand/protein 1 0.081 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452486&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429920 440968470 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244382 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cc(C)c(CNC[C@@H]2CCC(=O)N2)c(OC)n1 InChI=1S/C36H39Cl2N7O4/c1-20-14-28(44-35(48-2)27(20)17-39-15-21-10-12-31(46)42-21)25-8-4-6-23(33(25)37)24-7-5-9-26(34(24)38)29-19-41-30(36(45-29)49-3)18-40-16-22-11-13-32(47)43-22/h4-9,14,19,21-22,39-40H,10-13,15-18H2,1-3H3,(H,42,46)(H,43,47)/t21-,22-/m0/s1 IFBGFFBBFLREFD-VXKWHMMOSA-N 452487 US10710986, Example 628::US11555029, No. 628 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452487&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429915 440968471 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244383 COc1nc(cnc1CN1CC(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(O)C2)c(OC)n1 InChI=1S/C31H32Cl2N6O4/c1-31(41)16-39(17-31)15-26-30(43-3)37-24(11-35-26)22-9-5-7-20(28(22)33)19-6-4-8-21(27(19)32)23-10-34-25(29(36-23)42-2)14-38-12-18(40)13-38/h4-11,18,40-41H,12-17H2,1-3H3 DUITWIJAOPVIPC-UHFFFAOYSA-N 452488 US10710986, Example 629::US11555029, No. 629 Programmed cell death 1 ligand/protein 1 0.083 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452488&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430392 440968472 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244384 COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN)c(OC)n1 InChI=1S/C30H30Cl2N6O3/c1-40-29-17(14-34-15-18-10-12-26(39)36-18)9-11-23(37-29)21-7-3-5-19(27(21)31)20-6-4-8-22(28(20)32)25-16-35-24(13-33)30(38-25)41-2/h3-9,11,16,18,34H,10,12-15,33H2,1-2H3,(H,36,39)/t18-/m0/s1 JAKYSORRSAVDIG-SFHVURJKSA-N 452489 US10710986, Example 630::US11555029, No. 630 Programmed cell death 1 ligand/protein 1 0.437 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452489&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430394 440968473 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244385 COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(O)C2)c(OC)n1 InChI=1S/C34H36Cl2N6O4/c1-34(44)18-42(19-34)17-28-33(46-3)41-27(16-38-28)25-9-5-7-23(31(25)36)22-6-4-8-24(30(22)35)26-12-10-20(32(40-26)45-2)14-37-15-21-11-13-29(43)39-21/h4-10,12,16,21,37,44H,11,13-15,17-19H2,1-3H3,(H,39,43)/t21-/m0/s1 GHVPEDKDEZHKCT-NRFANRHFSA-N 452490 US10710986, Example 631::US11555029, No. 631 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452490&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430397 440968474 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244386 COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CN(C3)C(C)=O)c(OC)n1 InChI=1S/C37H39Cl2N7O4/c1-22(47)46-20-37(21-46)18-45(19-37)17-31-36(50-3)44-30(16-41-31)28-9-5-7-26(34(28)39)25-6-4-8-27(33(25)38)29-12-10-23(35(43-29)49-2)14-40-15-24-11-13-32(48)42-24/h4-10,12,16,24,40H,11,13-15,17-21H2,1-3H3,(H,42,48)/t24-/m0/s1 DUGNTRUWGMNOPR-DEOSSOPVSA-N 452491 US10710986, Example 632::US11555029, No. 632 Programmed cell death 1 ligand/protein 1 0.172 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452491&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457843 440968475 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244387 COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(OC)n1 InChI=1S/C36H37Cl2N7O4/c1-48-34-21(14-39-15-22-10-12-30(46)42-22)9-11-27(43-34)25-7-3-5-23(32(25)37)24-6-4-8-26(33(24)38)28-16-40-29(35(44-28)49-2)17-45-19-36(20-45)13-31(47)41-18-36/h3-9,11,16,22,39H,10,12-15,17-20H2,1-2H3,(H,41,47)(H,42,46)/t22-/m0/s1 WMAYKTJJYYXNOK-QFIPXVFZSA-N 452492 US10710986, Example 633::US11555029, No. 633 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452492&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430393 440968476 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244388 COc1nc(cnc1CN1CCC(CO)(CO)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(CO)(CO)C2)c(OC)n1 InChI=1S/C36H42Cl2N6O6/c1-49-33-29(15-43-11-9-35(17-43,19-45)20-46)39-13-27(41-33)25-7-3-5-23(31(25)37)24-6-4-8-26(32(24)38)28-14-40-30(34(42-28)50-2)16-44-12-10-36(18-44,21-47)22-48/h3-8,13-14,45-48H,9-12,15-22H2,1-2H3 LDCZNKGDQJRGBQ-UHFFFAOYSA-N 452493 US10710986, Example 634::US11555029, No. 634 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452493&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430396 440968477 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244389 COc1nc(ccc1CN1CC(C1)C(C)(C)O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)C(C)(C)O)c(OC2CC2)n1 InChI=1S/C39H45Cl2N5O4/c1-38(2,47)24-18-45(19-24)17-23-12-15-31(43-36(23)49-5)29-10-6-8-27(34(29)40)28-9-7-11-30(35(28)41)32-16-42-33(37(44-32)50-26-13-14-26)22-46-20-25(21-46)39(3,4)48/h6-12,15-16,24-26,47-48H,13-14,17-22H2,1-5H3 WBDZZVIONLCSCG-UHFFFAOYSA-N 452494 US10710986, Example 635::US11555029, No. 635 Programmed cell death 1 ligand/protein 1 0.098 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452494&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430041 440968478 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244390 COc1nc(ccc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CCC(=O)N3)c(OC2CC2)n1 InChI=1S/C39H39Cl2N7O4/c1-51-36-23(17-47-19-38(20-47)14-12-32(49)45-38)8-11-29(43-36)27-6-2-4-25(34(27)40)26-5-3-7-28(35(26)41)30-16-42-31(37(44-30)52-24-9-10-24)18-48-21-39(22-48)15-13-33(50)46-39/h2-8,11,16,24H,9-10,12-15,17-22H2,1H3,(H,45,49)(H,46,50) GWCZLCZNRCZBHO-UHFFFAOYSA-N 452495 US10710986, Example 636::US11555029, No. 636 Programmed cell death 1 ligand/protein 1 0.120 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452495&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430044 440968479 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244391 COc1nc(ccc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(OC2CC2)n1 InChI=1S/C39H39Cl2N7O4/c1-51-36-23(15-47-19-38(20-47)12-32(49)43-17-38)8-11-29(45-36)27-6-2-4-25(34(27)40)26-5-3-7-28(35(26)41)30-14-42-31(37(46-30)52-24-9-10-24)16-48-21-39(22-48)13-33(50)44-18-39/h2-8,11,14,24H,9-10,12-13,15-22H2,1H3,(H,43,49)(H,44,50) GAVMLMWRYLORAD-UHFFFAOYSA-N 452496 US10710986, Example 637::US11555029, No. 637 Programmed cell death 1 ligand/protein 1 0.134 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452496&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430039 440968480 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244392 COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC2CC2)n1 InChI=1S/C37H39Cl2N7O4/c1-49-36-21(16-40-17-22-9-14-32(47)43-22)8-13-29(45-36)27-6-2-4-25(34(27)38)26-5-3-7-28(35(26)39)30-20-42-31(37(46-30)50-24-11-12-24)19-41-18-23-10-15-33(48)44-23/h2-8,13,20,22-24,40-41H,9-12,14-19H2,1H3,(H,43,47)(H,44,48)/t22-,23-/m0/s1 QBRZZLWQMLKNQJ-GOTSBHOMSA-N 452497 US10710986, Example 638::US11555029, No. 638 Programmed cell death 1 ligand/protein 1 0.079 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452497&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430043 440968481 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244393 COc1nc(ccc1CNC[C@@H]1CNC(=O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@H](C2)C(N)=O)c(OC)n1 InChI=1S/C35H37Cl2N7O4/c1-47-34-20(16-39-14-19-11-30(45)42-15-19)9-10-27(43-34)25-7-3-5-23(31(25)36)24-6-4-8-26(32(24)37)28-17-41-29(35(44-28)48-2)18-40-22-12-21(13-22)33(38)46/h3-10,17,19,21-22,39-40H,11-16,18H2,1-2H3,(H2,38,46)(H,42,45)/t19-,21-,22+/m1/s1 KYPRXSBWEBYNSP-FCEUIQTBSA-N 452498 US10710986, Example 639::US11555029, No. 639 Programmed cell death 1 ligand/protein 1 0.066 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452498&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430042 440968482 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244394 COc1nc(ccc1CNC[C@@H]1CNC(=O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2CCC[C@H]2O)c(OC)n1 InChI=1S/C35H38Cl2N6O4/c1-46-34-21(17-38-15-20-14-31(45)41-16-20)12-13-26(42-34)24-8-3-6-22(32(24)36)23-7-4-9-25(33(23)37)28-18-40-29(35(43-28)47-2)19-39-27-10-5-11-30(27)44/h3-4,6-9,12-13,18,20,27,30,38-39,44H,5,10-11,14-17,19H2,1-2H3,(H,41,45)/t20-,27+,30-/m1/s1 FMGQYCQGFRRLCJ-XSDDQWBUSA-N 452499 US10710986, Example 640::US11555029, No. 640 Programmed cell death 1 ligand/protein 1 0.167 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452499&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430040 440968483 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244395 COc1nc(ccc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NCCN2)c(OC)n1 InChI=1S/C33H31Cl2N7O3/c1-44-31-19(16-42-17-33(18-42)12-11-26(43)41-33)9-10-24(39-31)22-7-3-5-20(27(22)34)21-6-4-8-23(28(21)35)25-15-38-29(32(40-25)45-2)30-36-13-14-37-30/h3-10,15H,11-14,16-18H2,1-2H3,(H,36,37)(H,41,43) YNWREAOCSSNQJU-UHFFFAOYSA-N 452500 US10710986, Example 641::US11555029, No. 641 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452500&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429528 440968484 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244396 COc1nc(ccc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NCCN2)c(OC)n1 InChI=1S/C31H30Cl2N6O3/c1-31(40)16-39(17-31)15-18-10-11-23(37-29(18)41-2)21-8-4-6-19(25(21)32)20-7-5-9-22(26(20)33)24-14-36-27(30(38-24)42-3)28-34-12-13-35-28/h4-11,14,40H,12-13,15-17H2,1-3H3,(H,34,35) BZISQFQHCPXOLT-UHFFFAOYSA-N 452501 US10710986, Example 642::US11555029, No. 642 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452501&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429536 440968485 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244397 COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NC[C@H](C)N2)c(OC)n1 InChI=1S/C33H33Cl2N7O3/c1-18-14-38-31(39-18)30-33(45-3)42-26(17-37-30)24-9-5-7-22(29(24)35)21-6-4-8-23(28(21)34)25-12-10-19(32(41-25)44-2)15-36-16-20-11-13-27(43)40-20/h4-10,12,17-18,20,36H,11,13-16H2,1-3H3,(H,38,39)(H,40,43)/t18-,20-/m0/s1 CERKBLRLHRVJTJ-ICSRJNTNSA-N 452502 US10710986, Example 643::US11555029, No. 643 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452502&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429531 440968486 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244398 COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NC[C@@H](C)N2)c(OC)n1 InChI=1S/C33H33Cl2N7O3/c1-18-14-38-31(39-18)30-33(45-3)42-26(17-37-30)24-9-5-7-22(29(24)35)21-6-4-8-23(28(21)34)25-12-10-19(32(41-25)44-2)15-36-16-20-11-13-27(43)40-20/h4-10,12,17-18,20,36H,11,13-16H2,1-3H3,(H,38,39)(H,40,43)/t18-,20+/m1/s1 CERKBLRLHRVJTJ-QUCCMNQESA-N 452503 US10710986, Example 644::US11555029, No. 644 Programmed cell death 1 ligand/protein 1 0.093 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452503&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429538 440968487 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244399 COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NCCN2)c(OC)n1 InChI=1S/C32H31Cl2N7O3/c1-43-31-18(15-35-16-19-10-12-26(42)39-19)9-11-24(40-31)22-7-3-5-20(27(22)33)21-6-4-8-23(28(21)34)25-17-38-29(32(41-25)44-2)30-36-13-14-37-30/h3-9,11,17,19,35H,10,12-16H2,1-2H3,(H,36,37)(H,39,42)/t19-/m0/s1 DOSONNHWBGYOCP-IBGZPJMESA-N 452504 US10710986, Example 645::US11555029, No. 645 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452504&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429532 440968488 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244400 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NC[C@H](C)N2)c(OC)n1 InChI=1S/C32H32Cl2N8O3/c1-17-12-38-30(39-17)29-32(45-3)42-24(16-37-29)22-9-5-7-20(28(22)34)19-6-4-8-21(27(19)33)23-15-36-25(31(41-23)44-2)14-35-13-18-10-11-26(43)40-18/h4-9,15-18,35H,10-14H2,1-3H3,(H,38,39)(H,40,43)/t17-,18-/m0/s1 GQJMGJYSEDKHPV-ROUUACIJSA-N 452505 US10710986, Example 646::US11555029, No. 646 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452505&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429529 440968489 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244401 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NC[C@@H](C)N2)c(OC)n1 InChI=1S/C32H32Cl2N8O3/c1-17-12-38-30(39-17)29-32(45-3)42-24(16-37-29)22-9-5-7-20(28(22)34)19-6-4-8-21(27(19)33)23-15-36-25(31(41-23)44-2)14-35-13-18-10-11-26(43)40-18/h4-9,15-18,35H,10-14H2,1-3H3,(H,38,39)(H,40,43)/t17-,18+/m1/s1 GQJMGJYSEDKHPV-MSOLQXFVSA-N 452506 US10710986, Example 647::US11555029, No. 647 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452506&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429539 440968490 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244402 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2CC[C@@H](CO)C2)c(OC)n1 InChI=1S/C35H39Cl2N7O4/c1-47-34-29(15-38-14-22-11-12-31(46)42-22)40-16-27(43-34)25-7-3-5-23(32(25)36)24-6-4-8-26(33(24)37)28-17-41-30(35(44-28)48-2)18-39-21-10-9-20(13-21)19-45/h3-8,16-17,20-22,38-39,45H,9-15,18-19H2,1-2H3,(H,42,46)/t20-,21+,22+/m1/s1 GYNJYWXQBPRMJA-FSSWDIPSSA-N 452507 US10710986, Example 648::US11555029, No. 648 Programmed cell death 1 ligand/protein 1 0.080 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452507&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429933 440968491 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244403 COc1nc(ccc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1F)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CCC(=O)N3)c(OC)n1 InChI=1S/C37H37ClFN7O4/c1-49-34-22(16-45-18-36(19-45)13-11-30(47)43-36)9-10-27(41-34)26-8-4-6-24(33(26)39)23-5-3-7-25(32(23)38)28-15-40-29(35(42-28)50-2)17-46-20-37(21-46)14-12-31(48)44-37/h3-10,15H,11-14,16-21H2,1-2H3,(H,43,47)(H,44,48) CGYSNGOTMRYRFV-UHFFFAOYSA-N 452508 US10710986, Example 649::US11555029, No. 649 Programmed cell death 1 ligand/protein 1 0.128 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452508&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429936 440968492 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244404 COc1nc(cnc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1F)-c1cc(C)c(CN2CC3(C2)CCC(=O)N3)c(OC)n1 InChI=1S/C38H39ClFN7O4/c1-22-14-28(42-35(50-2)27(22)16-46-18-37(19-46)12-10-31(48)44-37)26-9-5-7-24(34(26)40)23-6-4-8-25(33(23)39)29-15-41-30(36(43-29)51-3)17-47-20-38(21-47)13-11-32(49)45-38/h4-9,14-15H,10-13,16-21H2,1-3H3,(H,44,48)(H,45,49) IRVPDNZSHPIRHT-UHFFFAOYSA-N 452509 US10710986, Example 650::US11555029, No. 650 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452509&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429930 440968493 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244405 COc1nc(cnc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1Cl)-c1cccc(c1F)-c1cc(C)c(CN2CC3(C2)CNC(=O)C3)c(OC)n1 InChI=1S/C38H39ClFN7O4/c1-22-10-28(44-35(50-2)27(22)14-46-18-37(19-46)11-31(48)42-16-37)26-9-5-7-24(34(26)40)23-6-4-8-25(33(23)39)29-13-41-30(36(45-29)51-3)15-47-20-38(21-47)12-32(49)43-17-38/h4-10,13H,11-12,14-21H2,1-3H3,(H,42,48)(H,43,49) KMGHJMFZRBNRSL-UHFFFAOYSA-N 452510 US10710986, Example 651::US11555029, No. 651 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452510&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429937 440968494 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244406 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cc(C)c(CNC[C@H]2C[C@H](O)C2)c(OC)n1 InChI=1S/C36H40Cl2N6O4/c1-20-12-29(43-35(47-2)28(20)17-39-15-21-13-23(45)14-21)26-8-4-6-24(33(26)37)25-7-5-9-27(34(25)38)30-19-41-31(36(44-30)48-3)18-40-16-22-10-11-32(46)42-22/h4-9,12,19,21-23,39-40,45H,10-11,13-18H2,1-3H3,(H,42,46)/t21-,22-,23-/m0/s1 RXYSFKVMIAZKNG-VABKMULXSA-N 452511 US10710986, Example 652::US11555029, No. 652 Programmed cell death 1 ligand/protein 1 0.120 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452511&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429928 440968495 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244407 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cc(C)c(CN2CC3(C2)CN(C3)C(C)=O)c(OC)n1 InChI=1S/C38H41Cl2N7O4/c1-22-13-30(44-36(50-3)29(22)17-46-18-38(19-46)20-47(21-38)23(2)48)27-9-5-7-25(34(27)39)26-8-6-10-28(35(26)40)31-16-42-32(37(45-31)51-4)15-41-14-24-11-12-33(49)43-24/h5-10,13,16,24,41H,11-12,14-15,17-21H2,1-4H3,(H,43,49)/t24-/m0/s1 FTWXUBZUHNNTET-DEOSSOPVSA-N 452512 US10710986, Example 653::US11555029, No. 653 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452512&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457776 440968496 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244408 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cc(C)c(CN2CC(C(O)=O)C3(CCOC3)C2)c(OC)n1 InChI=1S/C39H42Cl2N6O6/c1-22-14-30(45-36(51-2)28(22)18-47-19-29(38(49)50)39(20-47)12-13-53-21-39)26-8-4-6-24(34(26)40)25-7-5-9-27(35(25)41)31-17-43-32(37(46-31)52-3)16-42-15-23-10-11-33(48)44-23/h4-9,14,17,23,29,42H,10-13,15-16,18-21H2,1-3H3,(H,44,48)(H,49,50)/t23-,29?,39?/m0/s1 DSEHDARYKIBESU-IVLCZLLTSA-N 452513 US10710986, Example 654::US11555029, No. 654 Programmed cell death 1 ligand/protein 1 0.071 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452513&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139429935 440968497 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244409 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cc(C)c(CN2C[C@@H]3CCC[C@@]3(C2)C(O)=O)c(OC)n1 InChI=1S/C39H42Cl2N6O5/c1-22-15-30(45-36(51-2)29(22)20-47-19-23-7-6-14-39(23,21-47)38(49)50)27-10-4-8-25(34(27)40)26-9-5-11-28(35(26)41)31-18-43-32(37(46-31)52-3)17-42-16-24-12-13-33(48)44-24/h4-5,8-11,15,18,23-24,42H,6-7,12-14,16-17,19-21H2,1-3H3,(H,44,48)(H,49,50)/t23-,24-,39-/m0/s1 HYMMTBKMYFFQMC-QJLCWVOHSA-N 452514 US10710986, Example 655::US11555029, No. 655 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452514&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430182 440968498 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244410 COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@H]2C[C@H](O)C2)c(OC)n1 InChI=1S/C35H38Cl2N6O4/c1-46-34-21(16-39-17-22-10-12-31(45)41-22)9-11-28(42-34)26-7-3-5-24(32(26)36)25-6-4-8-27(33(25)37)29-19-40-30(35(43-29)47-2)18-38-15-20-13-23(44)14-20/h3-9,11,19-20,22-23,38-39,44H,10,12-18H2,1-2H3,(H,41,45)/t20-,22-,23-/m0/s1 JEKXHFYAJUWWHD-PMVMPFDFSA-N 452515 US10710986, Example 656::US11555029, No. 656 Programmed cell death 1 ligand/protein 1 0.167 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452515&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430165 440968499 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244411 COc1nc(cnc1CN1CC(C1)OCC(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)OCC(N)=O)c(OC)n1 InChI=1S/C34H36Cl2N8O6/c1-47-33-27(15-43-11-19(12-43)49-17-29(37)45)39-9-25(41-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-10-40-28(34(42-26)48-2)16-44-13-20(14-44)50-18-30(38)46/h3-10,19-20H,11-18H2,1-2H3,(H2,37,45)(H2,38,46) NFPIHAIEDFSWNN-UHFFFAOYSA-N 452516 US10710986, Example 657::US11555029, No. 657 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452516&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430184 440968500 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244412 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2CCNC2=O)c(OC)n1 InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-13-19-11-12-39-32(19)46)40-17-25(43-33)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-18-41-28(34(44-26)48-2)16-38-14-20-9-10-29(45)42-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,39,46)(H,42,45)/t19?,20-/m0/s1 DTSUJTWVQNBVMB-ANYOKISRSA-N 452517 US10710986, Example 658::US11555029, No. 658 Programmed cell death 1 ligand/protein 1 0.196 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452517&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430178 440968501 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244413 COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2CCNC(=O)C2)c(OC)n1 InChI=1S/C35H38Cl2N8O4/c1-48-34-28(16-38-14-20-11-12-40-31(47)13-20)41-18-26(44-34)24-7-3-5-22(32(24)36)23-6-4-8-25(33(23)37)27-19-42-29(35(45-27)49-2)17-39-15-21-9-10-30(46)43-21/h3-8,18-21,38-39H,9-17H2,1-2H3,(H,40,47)(H,43,46)/t20?,21-/m0/s1 UAJKLABSHKRXAM-LBAQZLPGSA-N 452518 US10710986, Example 659::US11555029, No. 659 Programmed cell death 1 ligand/protein 1 0.121 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452518&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430185 440968502 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244414 COc1nc(cnc1CNCC1CCNC(=O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2CCNC(=O)C2)c(OC)n1 InChI=1S/C36H40Cl2N8O4/c1-49-35-29(17-39-15-21-9-11-41-31(47)13-21)43-19-27(45-35)25-7-3-5-23(33(25)37)24-6-4-8-26(34(24)38)28-20-44-30(36(46-28)50-2)18-40-16-22-10-12-42-32(48)14-22/h3-8,19-22,39-40H,9-18H2,1-2H3,(H,41,47)(H,42,48) HPGABWXCZFCACF-UHFFFAOYSA-N 452519 US10710986, Example 660::US11555029, No. 660 Programmed cell death 1 ligand/protein 1 0.135 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452519&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430167 440968503 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244415 COc1nc(cnc1CNCC1CCNC1=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2CCNC2=O)c(OC)n1 InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-13-19-9-11-39-31(19)45)41-17-25(43-33)23-7-3-5-21(29(23)35)22-6-4-8-24(30(22)36)26-18-42-28(34(44-26)48-2)16-38-14-20-10-12-40-32(20)46/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,39,45)(H,40,46) YHPFUGGDHRZKTK-UHFFFAOYSA-N 452520 US10710986, Example 661::US11555029, No. 661 Programmed cell death 1 ligand/protein 1 0.064 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452520&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430159 440968504 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244416 COc1nc(cnc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1C)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CN(C3)C(C)=O)c(OC)n1 InChI=1S/C39H43ClN8O4/c1-24-27(8-6-9-28(24)31-12-41-33(36(43-31)51-4)14-45-16-38(17-45)20-47(21-38)25(2)49)29-10-7-11-30(35(29)40)32-13-42-34(37(44-32)52-5)15-46-18-39(19-46)22-48(23-39)26(3)50/h6-13H,14-23H2,1-5H3 KCZLOJVKIIYXMC-UHFFFAOYSA-N 452521 US10710986, Example 662::US11555029, No. 662 Programmed cell death 1 ligand/protein 1 0.082 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452521&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139457710 440968505 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1244417 COc1nc(cnc1CN1CC[C@@H](CNC(C)=O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](CNC(C)=O)C2)c(OC)n1 InChI=1S/C38H44Cl2N8O4/c1-23(49)41-15-25-11-13-47(19-25)21-33-37(51-3)45-31(17-43-33)29-9-5-7-27(35(29)39)28-8-6-10-30(36(28)40)32-18-44-34(38(46-32)52-4)22-48-14-12-26(20-48)16-42-24(2)50/h5-10,17-18,25-26H,11-16,19-22H2,1-4H3,(H,41,49)(H,42,50)/t25-,26-/m0/s1 SPIYYSIRABJCMZ-UIOOFZCWSA-N 452522 US10710986, Example 663::US11555029, No. 663 Programmed cell death 1 ligand/protein 1 0.281 US Patent 10.7270/Q2P27329 US11555029 Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA 1/17/2023 3/12/2023 Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=452522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=317&target=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=452522&enzyme=Programmed+cell+death+1+ligand%2Fprotein+1&column=ki&startPg=0&Increment=50&submit=Search 139430476 440968506 2 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 3BIK,3BIS,3FN3,3SBW,4Z18,4ZQK,5GGT,5GRJ,5IUS,5J89,5J8O,5JDR,5JDS,5N2D,5N2F,5NIU,5O45,5XJ4,5XXY,6PV9,6R3K,6RPG,6VQN,6YCR,7BEA,7C88,7CZD,7DCV,7DY7,7NLD,7OUN,7TPS,7UX5,7UXO,7UXP,7UXQ,7VUN,7XYQ,8ALX,8AOM,8OR1 Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL 5IUS,5WT9,6J14,6J15,6JBT,6JJP,6UMT,6XKR,7CGW,7CU5,7E9B,7WVM,8AS0 Programmed cell death protein 1 PDCD1_HUMAN Q15116 O00517 Q8IX89 1272435 CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1F InChI=1S/C19H20F2N4O3S/c1-4-9-29(27,28)24-15-6-5-12(20)18(17(15)21)23-13-7-8-14-16(11(13)2)19(26)25(3)10-22-14/h5-8,10,23-24H,4,9H2,1-3H3 GNCDREOJDCBXMZ-UHFFFAOYSA-N 565094 US11414404, Ex. # 1::US11634409, Example 1 Serine/threonine-protein kinase B-raf [V600E] 42.7 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=126&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565094&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search 155434771 472626570 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 1UWJ,2L05,3NY5,4EHG,4G9R,4MNF,5C9C,5VR3,5VYK,6N0P,7ZR0,7ZR5,7ZR6,8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272436 CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1F InChI=1S/C19H20F2N4O3S/c1-4-9-29(27,28)24-15-6-5-12(20)18(17(15)21)23-13-7-8-14-16(11(13)2)19(26)25(3)10-22-14/h5-8,10,23-24H,4,9H2,1-3H3 GNCDREOJDCBXMZ-UHFFFAOYSA-N 565094 US11414404, Ex. # 1::US11634409, Example 1 Serine/threonine-protein kinase B-raf [V600K] 8.50 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1296&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600K%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565094&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600K%5D&column=ki&startPg=0&Increment=50&submit=Search 155434771 472626570 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATKKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272437 Cc1c(Nc2c(F)ccc(NS(=O)(=O)CCCF)c2F)ccc2ncn(C)c(=O)c12 InChI=1S/C19H19F3N4O3S/c1-11-13(6-7-14-16(11)19(27)26(2)10-23-14)24-18-12(21)4-5-15(17(18)22)25-30(28,29)9-3-8-20/h4-7,10,24-25H,3,8-9H2,1-2H3 OONSCJOURNDOJE-UHFFFAOYSA-N 565095 US11414404, Ex. # 2::US11634409, Example 2 Serine/threonine-protein kinase B-raf [V600E] 14.2 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=126&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565095&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search 155434780 472626571 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 1UWJ,2L05,3NY5,4EHG,4G9R,4MNF,5C9C,5VR3,5VYK,6N0P,7ZR0,7ZR5,7ZR6,8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272438 CCCS(=O)(=O)Nc1cccc(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl InChI=1S/C19H21ClN4O3S/c1-4-10-28(26,27)23-16-7-5-6-15(18(16)20)22-13-8-9-14-17(12(13)2)19(25)24(3)11-21-14/h5-9,11,22-23H,4,10H2,1-3H3 YVCQZHVOFMGABQ-UHFFFAOYSA-N 565110 US11414404, Ex. # 3::US11634409, Example 3 Serine/threonine-protein kinase B-raf [V600E] 70.5 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=126&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565110&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search 155434738 472626586 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 1UWJ,2L05,3NY5,4EHG,4G9R,4MNF,5C9C,5VR3,5VYK,6N0P,7ZR0,7ZR5,7ZR6,8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272439 Cc1c(Nc2cccc(NS(=O)(=O)CCCF)c2Cl)ccc2ncn(C)c(=O)c12 InChI=1S/C19H20ClFN4O3S/c1-12-13(7-8-14-17(12)19(26)25(2)11-22-14)23-15-5-3-6-16(18(15)20)24-29(27,28)10-4-9-21/h3,5-8,11,23-24H,4,9-10H2,1-2H3 YYPABTVUAMCOLR-UHFFFAOYSA-N 565127 US11414404, Ex. # 4::US11634409, Example 4 Serine/threonine-protein kinase B-raf [V600E] 16.1 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=126&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565127&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search 155434796 472626603 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 1UWJ,2L05,3NY5,4EHG,4G9R,4MNF,5C9C,5VR3,5VYK,6N0P,7ZR0,7ZR5,7ZR6,8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272440 Cc1c(Nc2cccc(NS(=O)(=O)CCCF)c2Cl)ccc2ncn(C)c(=O)c12 InChI=1S/C19H20ClFN4O3S/c1-12-13(7-8-14-17(12)19(26)25(2)11-22-14)23-15-5-3-6-16(18(15)20)24-29(27,28)10-4-9-21/h3,5-8,11,23-24H,4,9-10H2,1-2H3 YYPABTVUAMCOLR-UHFFFAOYSA-N 565127 US11414404, Ex. # 4::US11634409, Example 4 Serine/threonine-protein kinase B-raf [V600K] 8.10 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1296&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600K%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565127&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600K%5D&column=ki&startPg=0&Increment=50&submit=Search 155434796 472626603 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATKKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272441 CCCS(=O)(=O)Nc1cc(F)c(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1F InChI=1S/C19H19F3N4O3S/c1-4-7-30(28,29)25-14-8-11(20)16(21)18(17(14)22)24-12-5-6-13-15(10(12)2)19(27)26(3)9-23-13/h5-6,8-9,24-25H,4,7H2,1-3H3 BKXSSNOLXJOESR-UHFFFAOYSA-N 565128 US11414404, Ex. # 5::US11634409, Example 5 Serine/threonine-protein kinase B-raf [V600E] 6.25 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=126&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565128&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search 155434744 472626604 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 1UWJ,2L05,3NY5,4EHG,4G9R,4MNF,5C9C,5VR3,5VYK,6N0P,7ZR0,7ZR5,7ZR6,8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272442 Cc1c(Nc2c(F)c(F)cc(NS(=O)(=O)CCCF)c2F)ccc2ncn(C)c(=O)c12 InChI=1S/C19H18F4N4O3S/c1-10-12(4-5-13-15(10)19(28)27(2)9-24-13)25-18-16(22)11(21)8-14(17(18)23)26-31(29,30)7-3-6-20/h4-5,8-9,25-26H,3,6-7H2,1-2H3 GSTYARFSZPKURD-UHFFFAOYSA-N 565129 US11414404, Ex. # 6::US11634409, Example 6 Serine/threonine-protein kinase B-raf [V600E] 1.75 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=126&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565129&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search 155434716 472626605 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 1UWJ,2L05,3NY5,4EHG,4G9R,4MNF,5C9C,5VR3,5VYK,6N0P,7ZR0,7ZR5,7ZR6,8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272443 CCCS(=O)(=O)Nc1cc(F)c(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl InChI=1S/C19H19ClF2N4O3S/c1-4-7-30(28,29)25-14-8-11(21)17(22)18(16(14)20)24-12-5-6-13-15(10(12)2)19(27)26(3)9-23-13/h5-6,8-9,24-25H,4,7H2,1-3H3 PMBNARITVGVQPJ-UHFFFAOYSA-N 565130 US11414404, Ex. # 7::US11634409, Example 7 Serine/threonine-protein kinase B-raf [V600E] 1.30 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=126&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565130&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search 155434760 472626606 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 1UWJ,2L05,3NY5,4EHG,4G9R,4MNF,5C9C,5VR3,5VYK,6N0P,7ZR0,7ZR5,7ZR6,8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272444 CCCS(=O)(=O)Nc1cc(F)c(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl InChI=1S/C19H19ClF2N4O3S/c1-4-7-30(28,29)25-14-8-11(21)17(22)18(16(14)20)24-12-5-6-13-15(10(12)2)19(27)26(3)9-23-13/h5-6,8-9,24-25H,4,7H2,1-3H3 PMBNARITVGVQPJ-UHFFFAOYSA-N 565130 US11414404, Ex. # 7::US11634409, Example 7 Serine/threonine-protein kinase B-raf [V600K] 2.20 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1296&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600K%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565130&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600K%5D&column=ki&startPg=0&Increment=50&submit=Search 155434760 472626606 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATKKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272445 Cc1c(Nc2c(F)c(F)cc(NS(=O)(=O)CCCF)c2Cl)ccc2ncn(C)c(=O)c12 InChI=1S/C19H18ClF3N4O3S/c1-10-12(4-5-13-15(10)19(28)27(2)9-24-13)25-18-16(20)14(8-11(22)17(18)23)26-31(29,30)7-3-6-21/h4-5,8-9,25-26H,3,6-7H2,1-2H3 GTFJPRXCFHBNNJ-UHFFFAOYSA-N 565131 US11414404, Ex. # 8::US11634409, Example 8 Serine/threonine-protein kinase B-raf [V600E] 1.45 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=126&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565131&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search 155434774 472626607 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 1UWJ,2L05,3NY5,4EHG,4G9R,4MNF,5C9C,5VR3,5VYK,6N0P,7ZR0,7ZR5,7ZR6,8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272446 CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl InChI=1S/C19H20ClFN4O3S/c1-4-9-29(27,28)24-15-6-5-12(21)18(17(15)20)23-13-7-8-14-16(11(13)2)19(26)25(3)10-22-14/h5-8,10,23-24H,4,9H2,1-3H3 TVRGSVQGWXYCGL-UHFFFAOYSA-N 565132 BDBM565147::US11414404, Ex. # 9::US11634409, Example 24 Serine/threonine-protein kinase B-raf [V600E] 19.7 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=126&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565132&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search 155434785 472626608 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 1UWJ,2L05,3NY5,4EHG,4G9R,4MNF,5C9C,5VR3,5VYK,6N0P,7ZR0,7ZR5,7ZR6,8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272447 CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl InChI=1S/C19H20ClFN4O3S/c1-4-9-29(27,28)24-15-6-5-12(21)18(17(15)20)23-13-7-8-14-16(11(13)2)19(26)25(3)10-22-14/h5-8,10,23-24H,4,9H2,1-3H3 TVRGSVQGWXYCGL-UHFFFAOYSA-N 565132 BDBM565147::US11414404, Ex. # 9::US11634409, Example 24 Serine/threonine-protein kinase B-raf [V600K] 6.50 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1296&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600K%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565132&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600K%5D&column=ki&startPg=0&Increment=50&submit=Search 155434785 472626608 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATKKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272448 Cc1c(Nc2c(F)ccc(NS(=O)(=O)CCCF)c2Cl)ccc2ncn(C)c(=O)c12 InChI=1S/C19H19ClF2N4O3S/c1-11-13(6-7-14-16(11)19(27)26(2)10-23-14)24-18-12(22)4-5-15(17(18)20)25-30(28,29)9-3-8-21/h4-7,10,24-25H,3,8-9H2,1-2H3 VVLVISDSGRHLMB-UHFFFAOYSA-N 565133 BDBM565146::US11414404, Ex. # 10::US11634409, Example 23 Serine/threonine-protein kinase B-raf [V600E] 4.25 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=126&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565133&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search 155434855 472626609 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 1UWJ,2L05,3NY5,4EHG,4G9R,4MNF,5C9C,5VR3,5VYK,6N0P,7ZR0,7ZR5,7ZR6,8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272449 Cc1c(Nc2c(F)ccc(NS(=O)(=O)CCCF)c2Cl)ccc2ncn(C)c(=O)c12 InChI=1S/C19H19ClF2N4O3S/c1-11-13(6-7-14-16(11)19(27)26(2)10-23-14)24-18-12(22)4-5-15(17(18)20)25-30(28,29)9-3-8-21/h4-7,10,24-25H,3,8-9H2,1-2H3 VVLVISDSGRHLMB-UHFFFAOYSA-N 565133 BDBM565146::US11414404, Ex. # 10::US11634409, Example 23 Serine/threonine-protein kinase B-raf [V600K] 2.70 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1296&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600K%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565133&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600K%5D&column=ki&startPg=0&Increment=50&submit=Search 155434855 472626609 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATKKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272450 CCCS(=O)(=O)Nc1cc(F)cc(Nc2ccc3ncn(C)c(=O)c3c2C)c1F InChI=1S/C19H20F2N4O3S/c1-4-7-29(27,28)24-16-9-12(20)8-15(18(16)21)23-13-5-6-14-17(11(13)2)19(26)25(3)10-22-14/h5-6,8-10,23-24H,4,7H2,1-3H3 PLXRLNGVUIKLFQ-UHFFFAOYSA-N 565134 US11414404, Ex. # 11::US11634409, Example 11 Serine/threonine-protein kinase B-raf [V600E] 16.1 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=126&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565134&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search 155434928 472626610 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 1UWJ,2L05,3NY5,4EHG,4G9R,4MNF,5C9C,5VR3,5VYK,6N0P,7ZR0,7ZR5,7ZR6,8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272451 CCCS(=O)(=O)Nc1cc(F)cc(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl InChI=1S/C19H20ClFN4O3S/c1-4-7-29(27,28)24-16-9-12(21)8-15(18(16)20)23-13-5-6-14-17(11(13)2)19(26)25(3)10-22-14/h5-6,8-10,23-24H,4,7H2,1-3H3 SBKIKNQNNNPQNC-UHFFFAOYSA-N 565135 US11414404, Ex. # 12::US11634409, Example 12 Serine/threonine-protein kinase B-raf [V600E] 9.75 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=126&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565135&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search 155434882 472626611 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 1UWJ,2L05,3NY5,4EHG,4G9R,4MNF,5C9C,5VR3,5VYK,6N0P,7ZR0,7ZR5,7ZR6,8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272452 CCCS(=O)(=O)Nc1cc(Cl)cc(Nc2ccc3ncn(C)c(=O)c3c2C)c1F InChI=1S/C19H20ClFN4O3S/c1-4-7-29(27,28)24-16-9-12(20)8-15(18(16)21)23-13-5-6-14-17(11(13)2)19(26)25(3)10-22-14/h5-6,8-10,23-24H,4,7H2,1-3H3 IBSORHYSLRKYHH-UHFFFAOYSA-N 565136 US11414404, Ex. # 13::US11634409, Example 13 Serine/threonine-protein kinase B-raf [V600E] 4.60 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=126&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565136&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search 155434812 472626612 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 1UWJ,2L05,3NY5,4EHG,4G9R,4MNF,5C9C,5VR3,5VYK,6N0P,7ZR0,7ZR5,7ZR6,8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272453 CCCS(=O)(=O)Nc1ccc(Cl)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl InChI=1S/C19H20Cl2N4O3S/c1-4-9-29(27,28)24-15-6-5-12(20)18(17(15)21)23-13-7-8-14-16(11(13)2)19(26)25(3)10-22-14/h5-8,10,23-24H,4,9H2,1-3H3 LYJNTCVWLMIARZ-UHFFFAOYSA-N 565137 US11414404, Ex. # 14::US11634409, Example 14 Serine/threonine-protein kinase B-raf [V600E] 13.9 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=126&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565137&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search 155434770 472626613 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 1UWJ,2L05,3NY5,4EHG,4G9R,4MNF,5C9C,5VR3,5VYK,6N0P,7ZR0,7ZR5,7ZR6,8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272454 CCCS(=O)(=O)Nc1ncc(Cl)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl InChI=1S/C18H19Cl2N5O3S/c1-4-7-29(27,28)24-17-15(20)16(11(19)8-21-17)23-12-5-6-13-14(10(12)2)18(26)25(3)9-22-13/h5-6,8-9H,4,7H2,1-3H3,(H2,21,23,24) OCOUKCLRGNKZQI-UHFFFAOYSA-N 565138 US11414404, Ex. # 15::US11634409, Example 15 Serine/threonine-protein kinase B-raf [V600E] 4.55 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=126&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565138&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search 155434835 472626614 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 1UWJ,2L05,3NY5,4EHG,4G9R,4MNF,5C9C,5VR3,5VYK,6N0P,7ZR0,7ZR5,7ZR6,8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272455 CCCS(=O)(=O)Nc1ncc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1F InChI=1S/C18H19F2N5O3S/c1-4-7-29(27,28)24-17-15(20)16(11(19)8-21-17)23-12-5-6-13-14(10(12)2)18(26)25(3)9-22-13/h5-6,8-9H,4,7H2,1-3H3,(H2,21,23,24) FBHLFLASBXNQSB-UHFFFAOYSA-N 565139 US11414404, Ex. # 16::US11634409, Example 16 Serine/threonine-protein kinase B-raf [V600E] 17.0 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=126&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565139&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search 155434754 472626615 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 1UWJ,2L05,3NY5,4EHG,4G9R,4MNF,5C9C,5VR3,5VYK,6N0P,7ZR0,7ZR5,7ZR6,8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3 1272456 Cc1c(Nc2c(F)cnc(NS(=O)(=O)CCCF)c2F)ccc2ncn(C)c(=O)c12 InChI=1S/C18H18F3N5O3S/c1-10-12(4-5-13-14(10)18(27)26(2)9-23-13)24-16-11(20)8-22-17(15(16)21)25-30(28,29)7-3-6-19/h4-5,8-9H,3,6-7H2,1-2H3,(H2,22,24,25) UDNNUYYRVZVRFP-UHFFFAOYSA-N 565140 US11414404, Ex. # 17::US11634409, Example 17 Serine/threonine-protein kinase B-raf [V600E] 9.70 US Patent 10.7270/Q2FT8R02 US11634409 Barbour, PM; Brown, KK; Cook, AW; Hicken, EJ; Kahn, DR; Laird, ER; Metcalf, AT; Moreno, DA; Newhouse, BJ; Pajk, SP; Prigaro, BJ; Ren, L; Tarlton, E 4/25/2023 6/2/2023 Array BioPharma Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=565140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=126&target=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=565140&enzyme=Serine%2Fthreonine-protein+kinase+B-raf+%5BV600E%5D&column=ki&startPg=0&Increment=50&submit=Search 155434787 472626616 1 MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 1UWJ,2L05,3NY5,4EHG,4G9R,4MNF,5C9C,5VR3,5VYK,6N0P,7ZR0,7ZR5,7ZR6,8F7O,8F7P Serine/threonine-protein kinase B-raf BRAF_HUMAN P15056 A4D1T4 B6HY61 B6HY62 B6HY63 B6HY64 B6HY65 B6HY66 Q13878 Q3MIN6 Q9UDP8 Q9Y6T3