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 51608432 O=C(O)CNc1nc(-c2cccc(O)c2)nc(N2CCOCC2)n1 InChI=1S/C15H17N5O4/c21-11-3-1-2-10(8-11)13-17-14(16-9-12(22)23)19-15(18-13)20-4-6-24-7-5-20/h1-3,8,21H,4-7,9H2,(H,22,23)(H,16,17,18,19) MFILMTCFCQMVLK-UHFFFAOYSA-N 50648388 CHEMBL5613202 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Human 900 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648388 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1622&target=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648388&enzyme=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search 60161771 519663790 1 MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHTIKQHALN 4YKN,9LWQ,8TDU,8ILV,8ILS,8ILR,8DD8,8DD4,8DCX,8DCP,7MYO,7MYN,6NCT,5SXK,5SXJ,5SXI,5SXF,5SXE,5SXD,5SXC,5SXB,5SXA,5SX9,5SX8,5SWT,5SWR,5SWP,5SWO,5SWG,5SW8,4OVV,4OVU,4L2Y,4L23,4L1B,2RD0,5DXH,8TU6,5XGI,8TSD,8TSB,8TS7,8TS8,5XGJ,5XGH,6GVI,6GVH,6GVG,5DXT,7JIU,6PYS,6GVF,7MLK,8TWY,8BFU,7K71,7K6O,7K6N,7K6M,5UBR,4TV3,4TUU,7R9Y,7R9V,6OAC,3ZIM,2ENQ,9E8M,9B4U,6VO7,9CML,9CMK,2V1Y Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform PK3CA_HUMAN P42336 Q14CW1 Q99762 51608433 NC(=O)CNc1nc(nc(n1)-c1cccc(O)c1)N1CCOCC1 InChI=1S/C15H18N6O3/c16-12(23)9-17-14-18-13(10-2-1-3-11(22)8-10)19-15(20-14)21-4-6-24-7-5-21/h1-3,8,22H,4-7,9H2,(H2,16,23)(H,17,18,19,20) RCNRARNIBBZXHR-UHFFFAOYSA-N 50151700 CHEMBL3774579 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Homo sapiens 740 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50151700 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1622&target=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151700&enzyme=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search 60162043 340132869 CHEMBL3774579 1 MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHTIKQHALN 4YKN,9LWQ,8TDU,8ILV,8ILS,8ILR,8DD8,8DD4,8DCX,8DCP,7MYO,7MYN,6NCT,5SXK,5SXJ,5SXI,5SXF,5SXE,5SXD,5SXC,5SXB,5SXA,5SX9,5SX8,5SWT,5SWR,5SWP,5SWO,5SWG,5SW8,4OVV,4OVU,4L2Y,4L23,4L1B,2RD0,5DXH,8TU6,5XGI,8TSD,8TSB,8TS7,8TS8,5XGJ,5XGH,6GVI,6GVH,6GVG,5DXT,7JIU,6PYS,6GVF,7MLK,8TWY,8BFU,7K71,7K6O,7K6N,7K6M,5UBR,4TV3,4TUU,7R9Y,7R9V,6OAC,3ZIM,2ENQ,9E8M,9B4U,6VO7,9CML,9CMK,2V1Y Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform PK3CA_HUMAN P42336 Q14CW1 Q99762 51608434 CNC(=O)CNc1nc(nc(n1)-c1cccc(O)c1)N1CCOCC1 InChI=1S/C16H20N6O3/c1-17-13(24)10-18-15-19-14(11-3-2-4-12(23)9-11)20-16(21-15)22-5-7-25-8-6-22/h2-4,9,23H,5-8,10H2,1H3,(H,17,24)(H,18,19,20,21) NQVYUSFEPDRSPV-UHFFFAOYSA-N 50151710 CHEMBL3775745 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Homo sapiens 730 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50151710 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1622&target=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151710&enzyme=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search 89896459 340132870 CHEMBL3775745 1 MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHTIKQHALN 4YKN,9LWQ,8TDU,8ILV,8ILS,8ILR,8DD8,8DD4,8DCX,8DCP,7MYO,7MYN,6NCT,5SXK,5SXJ,5SXI,5SXF,5SXE,5SXD,5SXC,5SXB,5SXA,5SX9,5SX8,5SWT,5SWR,5SWP,5SWO,5SWG,5SW8,4OVV,4OVU,4L2Y,4L23,4L1B,2RD0,5DXH,8TU6,5XGI,8TSD,8TSB,8TS7,8TS8,5XGJ,5XGH,6GVI,6GVH,6GVG,5DXT,7JIU,6PYS,6GVF,7MLK,8TWY,8BFU,7K71,7K6O,7K6N,7K6M,5UBR,4TV3,4TUU,7R9Y,7R9V,6OAC,3ZIM,2ENQ,9E8M,9B4U,6VO7,9CML,9CMK,2V1Y Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform PK3CA_HUMAN P42336 Q14CW1 Q99762 51608435 CN(C)C(=O)CNc1nc(nc(n1)-c1cccc(O)c1)N1CCOCC1 InChI=1S/C17H22N6O3/c1-22(2)14(25)11-18-16-19-15(12-4-3-5-13(24)10-12)20-17(21-16)23-6-8-26-9-7-23/h3-5,10,24H,6-9,11H2,1-2H3,(H,18,19,20,21) AWJADMGOQPNCQD-UHFFFAOYSA-N 50151711 CHEMBL3775032 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Homo sapiens 540 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50151711 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1622&target=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151711&enzyme=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search 89896458 340132871 CHEMBL3775032 1 MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHTIKQHALN 4YKN,9LWQ,8TDU,8ILV,8ILS,8ILR,8DD8,8DD4,8DCX,8DCP,7MYO,7MYN,6NCT,5SXK,5SXJ,5SXI,5SXF,5SXE,5SXD,5SXC,5SXB,5SXA,5SX9,5SX8,5SWT,5SWR,5SWP,5SWO,5SWG,5SW8,4OVV,4OVU,4L2Y,4L23,4L1B,2RD0,5DXH,8TU6,5XGI,8TSD,8TSB,8TS7,8TS8,5XGJ,5XGH,6GVI,6GVH,6GVG,5DXT,7JIU,6PYS,6GVF,7MLK,8TWY,8BFU,7K71,7K6O,7K6N,7K6M,5UBR,4TV3,4TUU,7R9Y,7R9V,6OAC,3ZIM,2ENQ,9E8M,9B4U,6VO7,9CML,9CMK,2V1Y Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform PK3CA_HUMAN P42336 Q14CW1 Q99762 51608436 Nc1nc(nc(n1)-c1cccc(O)c1)N1CCOCC1 InChI=1S/C13H15N5O2/c14-12-15-11(9-2-1-3-10(19)8-9)16-13(17-12)18-4-6-20-7-5-18/h1-3,8,19H,4-7H2,(H2,14,15,16,17) OVZOBTMBZICRMV-UHFFFAOYSA-N 50151713 CHEMBL3775646 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Homo sapiens 680 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50151713 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1622&target=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151713&enzyme=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search 122658866 340132873 CHEMBL3775646 1 MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHTIKQHALN 4YKN,9LWQ,8TDU,8ILV,8ILS,8ILR,8DD8,8DD4,8DCX,8DCP,7MYO,7MYN,6NCT,5SXK,5SXJ,5SXI,5SXF,5SXE,5SXD,5SXC,5SXB,5SXA,5SX9,5SX8,5SWT,5SWR,5SWP,5SWO,5SWG,5SW8,4OVV,4OVU,4L2Y,4L23,4L1B,2RD0,5DXH,8TU6,5XGI,8TSD,8TSB,8TS7,8TS8,5XGJ,5XGH,6GVI,6GVH,6GVG,5DXT,7JIU,6PYS,6GVF,7MLK,8TWY,8BFU,7K71,7K6O,7K6N,7K6M,5UBR,4TV3,4TUU,7R9Y,7R9V,6OAC,3ZIM,2ENQ,9E8M,9B4U,6VO7,9CML,9CMK,2V1Y Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform PK3CA_HUMAN P42336 Q14CW1 Q99762 51608437 CN(C)C(=O)c1cccc(Nc2nc(nc(n2)-c2cccc3[nH]ncc23)N2CCOCC2)c1 InChI=1S/C23H24N8O2/c1-30(2)21(32)15-5-3-6-16(13-15)25-22-26-20(17-7-4-8-19-18(17)14-24-29-19)27-23(28-22)31-9-11-33-12-10-31/h3-8,13-14H,9-12H2,1-2H3,(H,24,29)(H,25,26,27,28) NNAJIJNYTXXVHO-UHFFFAOYSA-N 50151730 CHEMBL3775985 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Homo sapiens 60 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50151730 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1622&target=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151730&enzyme=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search 60163476 340132881 CHEMBL3775985 1 MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHTIKQHALN 4YKN,9LWQ,8TDU,8ILV,8ILS,8ILR,8DD8,8DD4,8DCX,8DCP,7MYO,7MYN,6NCT,5SXK,5SXJ,5SXI,5SXF,5SXE,5SXD,5SXC,5SXB,5SXA,5SX9,5SX8,5SWT,5SWR,5SWP,5SWO,5SWG,5SW8,4OVV,4OVU,4L2Y,4L23,4L1B,2RD0,5DXH,8TU6,5XGI,8TSD,8TSB,8TS7,8TS8,5XGJ,5XGH,6GVI,6GVH,6GVG,5DXT,7JIU,6PYS,6GVF,7MLK,8TWY,8BFU,7K71,7K6O,7K6N,7K6M,5UBR,4TV3,4TUU,7R9Y,7R9V,6OAC,3ZIM,2ENQ,9E8M,9B4U,6VO7,9CML,9CMK,2V1Y Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform PK3CA_HUMAN P42336 Q14CW1 Q99762 51608438 CNC(=O)c1cccc(Nc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)c1 InChI=1S/C22H22N8O2/c1-23-20(31)14-4-2-5-15(12-14)25-21-26-19(16-6-3-7-18-17(16)13-24-29-18)27-22(28-21)30-8-10-32-11-9-30/h2-7,12-13H,8-11H2,1H3,(H,23,31)(H,24,29)(H,25,26,27,28) VWWUMBUTNQFTTQ-UHFFFAOYSA-N 50648389 CHEMBL5612149 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Human 80 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648389 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1622&target=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648389&enzyme=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search 60163479 519663791 1 MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHTIKQHALN 4YKN,9LWQ,8TDU,8ILV,8ILS,8ILR,8DD8,8DD4,8DCX,8DCP,7MYO,7MYN,6NCT,5SXK,5SXJ,5SXI,5SXF,5SXE,5SXD,5SXC,5SXB,5SXA,5SX9,5SX8,5SWT,5SWR,5SWP,5SWO,5SWG,5SW8,4OVV,4OVU,4L2Y,4L23,4L1B,2RD0,5DXH,8TU6,5XGI,8TSD,8TSB,8TS7,8TS8,5XGJ,5XGH,6GVI,6GVH,6GVG,5DXT,7JIU,6PYS,6GVF,7MLK,8TWY,8BFU,7K71,7K6O,7K6N,7K6M,5UBR,4TV3,4TUU,7R9Y,7R9V,6OAC,3ZIM,2ENQ,9E8M,9B4U,6VO7,9CML,9CMK,2V1Y Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform PK3CA_HUMAN P42336 Q14CW1 Q99762 51608439 NC(=O)c1cccc(Nc2nc(nc(n2)-c2cccc3[nH]ncc23)N2CCOCC2)c1 InChI=1S/C21H20N8O2/c22-18(30)13-3-1-4-14(11-13)24-20-25-19(15-5-2-6-17-16(15)12-23-28-17)26-21(27-20)29-7-9-31-10-8-29/h1-6,11-12H,7-10H2,(H2,22,30)(H,23,28)(H,24,25,26,27) IAWVEYHIODRWRQ-UHFFFAOYSA-N 50151755 CHEMBL3775119 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Homo sapiens 80 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50151755 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1622&target=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151755&enzyme=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search 60161905 104039912 CHEMBL3775119 1 MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHTIKQHALN 4YKN,9LWQ,8TDU,8ILV,8ILS,8ILR,8DD8,8DD4,8DCX,8DCP,7MYO,7MYN,6NCT,5SXK,5SXJ,5SXI,5SXF,5SXE,5SXD,5SXC,5SXB,5SXA,5SX9,5SX8,5SWT,5SWR,5SWP,5SWO,5SWG,5SW8,4OVV,4OVU,4L2Y,4L23,4L1B,2RD0,5DXH,8TU6,5XGI,8TSD,8TSB,8TS7,8TS8,5XGJ,5XGH,6GVI,6GVH,6GVG,5DXT,7JIU,6PYS,6GVF,7MLK,8TWY,8BFU,7K71,7K6O,7K6N,7K6M,5UBR,4TV3,4TUU,7R9Y,7R9V,6OAC,3ZIM,2ENQ,9E8M,9B4U,6VO7,9CML,9CMK,2V1Y Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform PK3CA_HUMAN P42336 Q14CW1 Q99762 51608440 CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2cccc3[nH]ncc23)N2CCOCC2)cc1 InChI=1S/C23H23N7O3/c1-29(2)21(31)15-6-8-16(9-7-15)33-23-26-20(17-4-3-5-19-18(17)14-24-28-19)25-22(27-23)30-10-12-32-13-11-30/h3-9,14H,10-13H2,1-2H3,(H,24,28) HOLZLKJUQNXYRK-UHFFFAOYSA-N 50151845 CHEMBL3775504 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Homo sapiens 60 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50151845 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1622&target=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151845&enzyme=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search 68295585 340132882 CHEMBL3775504 1 MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHTIKQHALN 4YKN,9LWQ,8TDU,8ILV,8ILS,8ILR,8DD8,8DD4,8DCX,8DCP,7MYO,7MYN,6NCT,5SXK,5SXJ,5SXI,5SXF,5SXE,5SXD,5SXC,5SXB,5SXA,5SX9,5SX8,5SWT,5SWR,5SWP,5SWO,5SWG,5SW8,4OVV,4OVU,4L2Y,4L23,4L1B,2RD0,5DXH,8TU6,5XGI,8TSD,8TSB,8TS7,8TS8,5XGJ,5XGH,6GVI,6GVH,6GVG,5DXT,7JIU,6PYS,6GVF,7MLK,8TWY,8BFU,7K71,7K6O,7K6N,7K6M,5UBR,4TV3,4TUU,7R9Y,7R9V,6OAC,3ZIM,2ENQ,9E8M,9B4U,6VO7,9CML,9CMK,2V1Y Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform PK3CA_HUMAN P42336 Q14CW1 Q99762 51608441 CN(C)C(=O)c1cc(Oc2nc(nc(n2)-c2cccc3[nH]ncc23)N2CCOCC2)cs1 InChI=1S/C21H21N7O3S/c1-27(2)19(29)17-10-13(12-32-17)31-21-24-18(14-4-3-5-16-15(14)11-22-26-16)23-20(25-21)28-6-8-30-9-7-28/h3-5,10-12H,6-9H2,1-2H3,(H,22,26) JVWIRCGNDKIHAI-UHFFFAOYSA-N 50151846 CHEMBL3774677 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Homo sapiens 100 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50151846 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1622&target=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151846&enzyme=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search 122658900 340132883 CHEMBL3774677 1 MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHTIKQHALN 4YKN,9LWQ,8TDU,8ILV,8ILS,8ILR,8DD8,8DD4,8DCX,8DCP,7MYO,7MYN,6NCT,5SXK,5SXJ,5SXI,5SXF,5SXE,5SXD,5SXC,5SXB,5SXA,5SX9,5SX8,5SWT,5SWR,5SWP,5SWO,5SWG,5SW8,4OVV,4OVU,4L2Y,4L23,4L1B,2RD0,5DXH,8TU6,5XGI,8TSD,8TSB,8TS7,8TS8,5XGJ,5XGH,6GVI,6GVH,6GVG,5DXT,7JIU,6PYS,6GVF,7MLK,8TWY,8BFU,7K71,7K6O,7K6N,7K6M,5UBR,4TV3,4TUU,7R9Y,7R9V,6OAC,3ZIM,2ENQ,9E8M,9B4U,6VO7,9CML,9CMK,2V1Y Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform PK3CA_HUMAN P42336 Q14CW1 Q99762 51608442 CN(C)C(=O)C1CCC(Oc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)CC1 InChI=1S/C23H29N7O3/c1-29(2)21(31)15-6-8-16(9-7-15)33-23-26-20(17-4-3-5-19-18(17)14-24-28-19)25-22(27-23)30-10-12-32-13-11-30/h3-5,14-16H,6-13H2,1-2H3,(H,24,28) NIDQRYIFGQNUHN-UHFFFAOYSA-N 50648390 CHEMBL5613360 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Human 60 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648390 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1622&target=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648390&enzyme=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search 89996408 519663792 1 MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHTIKQHALN 4YKN,9LWQ,8TDU,8ILV,8ILS,8ILR,8DD8,8DD4,8DCX,8DCP,7MYO,7MYN,6NCT,5SXK,5SXJ,5SXI,5SXF,5SXE,5SXD,5SXC,5SXB,5SXA,5SX9,5SX8,5SWT,5SWR,5SWP,5SWO,5SWG,5SW8,4OVV,4OVU,4L2Y,4L23,4L1B,2RD0,5DXH,8TU6,5XGI,8TSD,8TSB,8TS7,8TS8,5XGJ,5XGH,6GVI,6GVH,6GVG,5DXT,7JIU,6PYS,6GVF,7MLK,8TWY,8BFU,7K71,7K6O,7K6N,7K6M,5UBR,4TV3,4TUU,7R9Y,7R9V,6OAC,3ZIM,2ENQ,9E8M,9B4U,6VO7,9CML,9CMK,2V1Y Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform PK3CA_HUMAN P42336 Q14CW1 Q99762 51608443 CN(C)C(=O)N1CCC(CC1)Oc1nc(nc(n1)-c1cccc2[nH]ncc12)N1CCOCC1 InChI=1S/C22H28N8O3/c1-28(2)22(31)30-8-6-15(7-9-30)33-21-25-19(16-4-3-5-18-17(16)14-23-27-18)24-20(26-21)29-10-12-32-13-11-29/h3-5,14-15H,6-13H2,1-2H3,(H,23,27) IYYBADRIAWFQRA-UHFFFAOYSA-N 50151848 CHEMBL3774827 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Homo sapiens 60 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50151848 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1622&target=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151848&enzyme=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search 72950095 340132885 CHEMBL3774827 1 MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHTIKQHALN 4YKN,9LWQ,8TDU,8ILV,8ILS,8ILR,8DD8,8DD4,8DCX,8DCP,7MYO,7MYN,6NCT,5SXK,5SXJ,5SXI,5SXF,5SXE,5SXD,5SXC,5SXB,5SXA,5SX9,5SX8,5SWT,5SWR,5SWP,5SWO,5SWG,5SW8,4OVV,4OVU,4L2Y,4L23,4L1B,2RD0,5DXH,8TU6,5XGI,8TSD,8TSB,8TS7,8TS8,5XGJ,5XGH,6GVI,6GVH,6GVG,5DXT,7JIU,6PYS,6GVF,7MLK,8TWY,8BFU,7K71,7K6O,7K6N,7K6M,5UBR,4TV3,4TUU,7R9Y,7R9V,6OAC,3ZIM,2ENQ,9E8M,9B4U,6VO7,9CML,9CMK,2V1Y Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform PK3CA_HUMAN P42336 Q14CW1 Q99762 51608444 Nc1ncc(-c2nc(-c3ccc(CN4CCOCC4)s3)nc(N3CCOCC3)n2)cn1 InChI=1S/C20H24N8O2S/c21-19-22-11-14(12-23-19)17-24-18(26-20(25-17)28-5-9-30-10-6-28)16-2-1-15(31-16)13-27-3-7-29-8-4-27/h1-2,11-12H,3-10,13H2,(H2,21,22,23) TXZRCBSHAADXIM-UHFFFAOYSA-N 50648391 CHEMBL5614042 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Human 9.5 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648391 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1622&target=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648391&enzyme=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search 172818767 519663793 1 MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHTIKQHALN 4YKN,9LWQ,8TDU,8ILV,8ILS,8ILR,8DD8,8DD4,8DCX,8DCP,7MYO,7MYN,6NCT,5SXK,5SXJ,5SXI,5SXF,5SXE,5SXD,5SXC,5SXB,5SXA,5SX9,5SX8,5SWT,5SWR,5SWP,5SWO,5SWG,5SW8,4OVV,4OVU,4L2Y,4L23,4L1B,2RD0,5DXH,8TU6,5XGI,8TSD,8TSB,8TS7,8TS8,5XGJ,5XGH,6GVI,6GVH,6GVG,5DXT,7JIU,6PYS,6GVF,7MLK,8TWY,8BFU,7K71,7K6O,7K6N,7K6M,5UBR,4TV3,4TUU,7R9Y,7R9V,6OAC,3ZIM,2ENQ,9E8M,9B4U,6VO7,9CML,9CMK,2V1Y Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform PK3CA_HUMAN P42336 Q14CW1 Q99762 51608445 CS(=O)(=O)N1CCN(Cc2ccc(-c3nc(-c4cnc(N)nc4)nc(N4CCOCC4)n3)s2)CC1 InChI=1S/C21H27N9O3S2/c1-35(31,32)30-6-4-28(5-7-30)14-16-2-3-17(34-16)19-25-18(15-12-23-20(22)24-13-15)26-21(27-19)29-8-10-33-11-9-29/h2-3,12-13H,4-11,14H2,1H3,(H2,22,23,24) SMTGCTTVNRMZKO-UHFFFAOYSA-N 50648392 CHEMBL5612939 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Human 7.0 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648392 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1622&target=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648392&enzyme=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search 172813504 519663794 1 MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHTIKQHALN 4YKN,9LWQ,8TDU,8ILV,8ILS,8ILR,8DD8,8DD4,8DCX,8DCP,7MYO,7MYN,6NCT,5SXK,5SXJ,5SXI,5SXF,5SXE,5SXD,5SXC,5SXB,5SXA,5SX9,5SX8,5SWT,5SWR,5SWP,5SWO,5SWG,5SW8,4OVV,4OVU,4L2Y,4L23,4L1B,2RD0,5DXH,8TU6,5XGI,8TSD,8TSB,8TS7,8TS8,5XGJ,5XGH,6GVI,6GVH,6GVG,5DXT,7JIU,6PYS,6GVF,7MLK,8TWY,8BFU,7K71,7K6O,7K6N,7K6M,5UBR,4TV3,4TUU,7R9Y,7R9V,6OAC,3ZIM,2ENQ,9E8M,9B4U,6VO7,9CML,9CMK,2V1Y Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform PK3CA_HUMAN P42336 Q14CW1 Q99762 51608446 CNC(=O)Nc1ncc(-c2nc(-c3ccc(CN4CCN(S(C)(=O)=O)CC4)s3)nc(N3CCOCC3)n2)cn1 InChI=1S/C23H30N10O4S2/c1-24-23(34)30-21-25-13-16(14-26-21)19-27-20(29-22(28-19)32-9-11-37-12-10-32)18-4-3-17(38-18)15-31-5-7-33(8-6-31)39(2,35)36/h3-4,13-14H,5-12,15H2,1-2H3,(H2,24,25,26,30,34) LYJJTMKJMIRDGG-UHFFFAOYSA-N 50648393 CHEMBL5613597 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Human 24 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648393 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1622&target=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648393&enzyme=Phosphatidylinositol+4%2C5-bisphosphate+3-kinase+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search 177379242 519663795 1 MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHTIKQHALN 4YKN,9LWQ,8TDU,8ILV,8ILS,8ILR,8DD8,8DD4,8DCX,8DCP,7MYO,7MYN,6NCT,5SXK,5SXJ,5SXI,5SXF,5SXE,5SXD,5SXC,5SXB,5SXA,5SX9,5SX8,5SWT,5SWR,5SWP,5SWO,5SWG,5SW8,4OVV,4OVU,4L2Y,4L23,4L1B,2RD0,5DXH,8TU6,5XGI,8TSD,8TSB,8TS7,8TS8,5XGJ,5XGH,6GVI,6GVH,6GVG,5DXT,7JIU,6PYS,6GVF,7MLK,8TWY,8BFU,7K71,7K6O,7K6N,7K6M,5UBR,4TV3,4TUU,7R9Y,7R9V,6OAC,3ZIM,2ENQ,9E8M,9B4U,6VO7,9CML,9CMK,2V1Y Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform PK3CA_HUMAN P42336 Q14CW1 Q99762 51608447 Nc1ncc(-c2nc(-c3ccc(CN4CCOCC4)s3)nc(N3CCOCC3)n2)cn1 InChI=1S/C20H24N8O2S/c21-19-22-11-14(12-23-19)17-24-18(26-20(25-17)28-5-9-30-10-6-28)16-2-1-15(31-16)13-27-3-7-29-8-4-27/h1-2,11-12H,3-10,13H2,(H2,21,22,23) TXZRCBSHAADXIM-UHFFFAOYSA-N 50648391 CHEMBL5614042 Serine/threonine-protein kinase mTOR Human 69 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648391 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2112&target=Serine%2Fthreonine-protein+kinase+mTOR&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648391&enzyme=Serine%2Fthreonine-protein+kinase+mTOR&column=ki&startPg=0&Increment=50&submit=Search 172818767 519663793 1 MLGTGPAAATTAATTSSNVSVLQQFASGLKSRNEETRAKAAKELQHYVTMELREMSQEESTRFYDQLNHHIFELVSSSDANERKGGILAIASLIGVEGGNATRIGRFANYLRNLLPSNDPVVMEMASKAIGRLAMAGDTFTAEYVEFEVKRALEWLGADRNEGRRHAAVLVLRELAISVPTFFFQQVQPFFDNIFVAVWDPKQAIREGAVAALRACLILTTQREPKEMQKPQWYRHTFEEAEKGFDETLAKEKGMNRDDRIHGALLILNELVRISSMEGERLREEMEEITQQQLVHDKYCKDLMGFGTKPRHITPFTSFQAVQPQQSNALVGLLGYSSHQGLMGFGTSPSPAKSTLVESRCCRDLMEEKFDQVCQWVLKCRNSKNSLIQMTILNLLPRLAAFRPSAFTDTQYLQDTMNHVLSCVKKEKERTAAFQALGLLSVAVRSEFKVYLPRVLDIIRAALPPKDFAHKRQKAMQVDATVFTCISMLARAMGPGIQQDIKELLEPMLAVGLSPALTAVLYDLSRQIPQLKKDIQDGLLKMLSLVLMHKPLRHPGMPKGLAHQLASPGLTTLPEASDVGSITLALRTLGSFEFEGHSLTQFVRHCADHFLNSEHKEIRMEAARTCSRLLTPSIHLISGHAHVVSQTAVQVVADVLSKLLVVGITDPDPDIRYCVLASLDERFDAHLAQAENLQALFVALNDQVFEIRELAICTVGRLSSMNPAFVMPFLRKMLIQILTELEHSGIGRIKEQSARMLGHLVSNAPRLIRPYMEPILKALILKLKDPDPDPNPGVINNVLATIGELAQVSGLEMRKWVDELFIIIMDMLQDSSLLAKRQVALWTLGQLVASTGYVVEPYRKYPTLLEVLLNFLKTEQNQGTRREAIRVLGLLGALDPYKHKVNIGMIDQSRDASAVSLSESKSSQDSSDYSTSEMLVNMGNLPLDEFYPAVSMVALMRIFRDQSLSHHHTMVVQAITFIFKSLGLKCVQFLPQVMPTFLNVIRVCDGAIREFLFQQLGMLVSFVKSHIRPYMDEIVTLMREFWVMNTSIQSTIILLIEQIVVALGGEFKLYLPQLIPHMLRVFMHDNSPGRIVSIKLLAAIQLFGANLDDYLHLLLPPIVKLFDAPEAPLPSRKAALETVDRLTESLDFTDYASRIIHPIVRTLDQSPELRSTAMDTLSSLVFQLGKKYQIFIPMVNKVLVRHRINHQRYDVLICRIVKGYTLADEEEDPLIYQHRMLRSGQGDALASGPVETGPMKKLHVSTINLQKAWGAARRVSKDDWLEWLRRLSLELLKDSSSPSLRSCWALAQAYNPMARDLFNAAFVSCWSELNEDQQDELIRSIELALTSQDIAEVTQTLLNLAEFMEHSDKGPLPLRDDNGIVLLGERAAKCRAYAKALHYKELEFQKGPTPAILESLISINNKLQQPEAAAGVLEYAMKHFGELEIQATWYEKLHEWEDALVAYDKKMDTNKDDPELMLGRMRCLEALGEWGQLHQQCCEKWTLVNDETQAKMARMAAAAAWGLGQWDSMEEYTCMIPRDTHDGAFYRAVLALHQDLFSLAQQCIDKARDLLDAELTAMAGESYSRAYGAMVSCHMLSELEEVIQYKLVPERREIIRQIWWERLQGCQRIVEDWQKILMVRSLVVSPHEDMRTWLKYASLCGKSGRLALAHKTLVLLLGVDPSRQLDHPLPTVHPQVTYAYMKNMWKSARKIDAFQHMQHFVQTMQQQAQHAIATEDQQHKQELHKLMARCFLKLGEWQLNLQGINESTIPKVLQYYSAATEHDRSWYKAWHAWAVMNFEAVLHYKHQNQARDEKKKLRHASGANITNATTAATTAATATTTASTEGSNSESEAESTENSPTPSPLQKKVTEDLSKTLLMYTVPAVQGFFRSISLSRGNNLQDTLRVLTLWFDYGHWPDVNEALVEGVKAIQIDTWLQVIPQLIARIDTPRPLVGRLIHQLLTDIGRYHPQALIYPLTVASKSTTTARHNAANKILKNMCEHSNTLVQQAMMVSEELIRVAILWHEMWHEGLEEASRLYFGERNVKGMFEVLEPLHAMMERGPQTLKETSFNQAYGRDLMEAQEWCRKYMKSGNVKDLTQAWDLYYHVFRRISKQLPQLTSLELQYVSPKLLMCRDLELAVPGTYDPNQPIIRIQSIAPSLQVITSKQRPRKLTLMGSNGHEFVFLLKGHEDLRQDERVMQLFGLVNTLLANDPTSLRKNLSIQRYAVIPLSTNSGLIGWVPHCDTLHALIRDYREKKKILLNIEHRIMLRMAPDYDHLTLMQKVEVFEHAVNNTAGDDLAKLLWLKSPSSEVWFDRRTNYTRSLAVMSMVGYILGLGDRHPSNLMLDRLSGKILHIDFGDCFEVAMTREKFPEKIPFRLTRMLTNAMEVTGLDGNYRITCHTVMEVLREHKDSVMAVLEAFVYDPLLNWRLMDTNTKGNKRSRTRTDSYSAGQSVEILDGVELGEPAHKKTGTTVPESIHSFIGDGLVKPEALNKKAIQIINRVRDKLTGRDFSHDDTLDVPTQVELLIKQATSHENLCQCYIGWCPFW 7TZO,9F45,9F44,9ED8,9ED7,9ED4,8RCN,8RCK,8RCH,8ERA,7UXH,7UXC,6ZWO,6ZWM,5ZCS,5H64,7PE9,7PE8,7PE7,5WBY,5WBU,4JT6,4JT5,4JSX,4JSV,4JSP,4JSN,5FLC,3JBZ,2GAQ,1AUE,5WBH,9NGT,1FAP,4FAP,3FAP,2RSE,2FAP,1NSG,8ER7,8ER6,9DBO,8PPZ,4DRJ,4DRI,4DRH,7EPD Serine/threonine-protein kinase mTOR MTOR_HUMAN P42345 Q4LE76 Q5TER1 Q6LE87 Q96QG3 Q9Y4I3 51608448 CS(=O)(=O)N1CCN(Cc2ccc(-c3nc(-c4cnc(N)nc4)nc(N4CCOCC4)n3)s2)CC1 InChI=1S/C21H27N9O3S2/c1-35(31,32)30-6-4-28(5-7-30)14-16-2-3-17(34-16)19-25-18(15-12-23-20(22)24-13-15)26-21(27-19)29-8-10-33-11-9-29/h2-3,12-13H,4-11,14H2,1H3,(H2,22,23,24) SMTGCTTVNRMZKO-UHFFFAOYSA-N 50648392 CHEMBL5612939 Serine/threonine-protein kinase mTOR Human 48 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648392 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2112&target=Serine%2Fthreonine-protein+kinase+mTOR&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648392&enzyme=Serine%2Fthreonine-protein+kinase+mTOR&column=ki&startPg=0&Increment=50&submit=Search 172813504 519663794 1 MLGTGPAAATTAATTSSNVSVLQQFASGLKSRNEETRAKAAKELQHYVTMELREMSQEESTRFYDQLNHHIFELVSSSDANERKGGILAIASLIGVEGGNATRIGRFANYLRNLLPSNDPVVMEMASKAIGRLAMAGDTFTAEYVEFEVKRALEWLGADRNEGRRHAAVLVLRELAISVPTFFFQQVQPFFDNIFVAVWDPKQAIREGAVAALRACLILTTQREPKEMQKPQWYRHTFEEAEKGFDETLAKEKGMNRDDRIHGALLILNELVRISSMEGERLREEMEEITQQQLVHDKYCKDLMGFGTKPRHITPFTSFQAVQPQQSNALVGLLGYSSHQGLMGFGTSPSPAKSTLVESRCCRDLMEEKFDQVCQWVLKCRNSKNSLIQMTILNLLPRLAAFRPSAFTDTQYLQDTMNHVLSCVKKEKERTAAFQALGLLSVAVRSEFKVYLPRVLDIIRAALPPKDFAHKRQKAMQVDATVFTCISMLARAMGPGIQQDIKELLEPMLAVGLSPALTAVLYDLSRQIPQLKKDIQDGLLKMLSLVLMHKPLRHPGMPKGLAHQLASPGLTTLPEASDVGSITLALRTLGSFEFEGHSLTQFVRHCADHFLNSEHKEIRMEAARTCSRLLTPSIHLISGHAHVVSQTAVQVVADVLSKLLVVGITDPDPDIRYCVLASLDERFDAHLAQAENLQALFVALNDQVFEIRELAICTVGRLSSMNPAFVMPFLRKMLIQILTELEHSGIGRIKEQSARMLGHLVSNAPRLIRPYMEPILKALILKLKDPDPDPNPGVINNVLATIGELAQVSGLEMRKWVDELFIIIMDMLQDSSLLAKRQVALWTLGQLVASTGYVVEPYRKYPTLLEVLLNFLKTEQNQGTRREAIRVLGLLGALDPYKHKVNIGMIDQSRDASAVSLSESKSSQDSSDYSTSEMLVNMGNLPLDEFYPAVSMVALMRIFRDQSLSHHHTMVVQAITFIFKSLGLKCVQFLPQVMPTFLNVIRVCDGAIREFLFQQLGMLVSFVKSHIRPYMDEIVTLMREFWVMNTSIQSTIILLIEQIVVALGGEFKLYLPQLIPHMLRVFMHDNSPGRIVSIKLLAAIQLFGANLDDYLHLLLPPIVKLFDAPEAPLPSRKAALETVDRLTESLDFTDYASRIIHPIVRTLDQSPELRSTAMDTLSSLVFQLGKKYQIFIPMVNKVLVRHRINHQRYDVLICRIVKGYTLADEEEDPLIYQHRMLRSGQGDALASGPVETGPMKKLHVSTINLQKAWGAARRVSKDDWLEWLRRLSLELLKDSSSPSLRSCWALAQAYNPMARDLFNAAFVSCWSELNEDQQDELIRSIELALTSQDIAEVTQTLLNLAEFMEHSDKGPLPLRDDNGIVLLGERAAKCRAYAKALHYKELEFQKGPTPAILESLISINNKLQQPEAAAGVLEYAMKHFGELEIQATWYEKLHEWEDALVAYDKKMDTNKDDPELMLGRMRCLEALGEWGQLHQQCCEKWTLVNDETQAKMARMAAAAAWGLGQWDSMEEYTCMIPRDTHDGAFYRAVLALHQDLFSLAQQCIDKARDLLDAELTAMAGESYSRAYGAMVSCHMLSELEEVIQYKLVPERREIIRQIWWERLQGCQRIVEDWQKILMVRSLVVSPHEDMRTWLKYASLCGKSGRLALAHKTLVLLLGVDPSRQLDHPLPTVHPQVTYAYMKNMWKSARKIDAFQHMQHFVQTMQQQAQHAIATEDQQHKQELHKLMARCFLKLGEWQLNLQGINESTIPKVLQYYSAATEHDRSWYKAWHAWAVMNFEAVLHYKHQNQARDEKKKLRHASGANITNATTAATTAATATTTASTEGSNSESEAESTENSPTPSPLQKKVTEDLSKTLLMYTVPAVQGFFRSISLSRGNNLQDTLRVLTLWFDYGHWPDVNEALVEGVKAIQIDTWLQVIPQLIARIDTPRPLVGRLIHQLLTDIGRYHPQALIYPLTVASKSTTTARHNAANKILKNMCEHSNTLVQQAMMVSEELIRVAILWHEMWHEGLEEASRLYFGERNVKGMFEVLEPLHAMMERGPQTLKETSFNQAYGRDLMEAQEWCRKYMKSGNVKDLTQAWDLYYHVFRRISKQLPQLTSLELQYVSPKLLMCRDLELAVPGTYDPNQPIIRIQSIAPSLQVITSKQRPRKLTLMGSNGHEFVFLLKGHEDLRQDERVMQLFGLVNTLLANDPTSLRKNLSIQRYAVIPLSTNSGLIGWVPHCDTLHALIRDYREKKKILLNIEHRIMLRMAPDYDHLTLMQKVEVFEHAVNNTAGDDLAKLLWLKSPSSEVWFDRRTNYTRSLAVMSMVGYILGLGDRHPSNLMLDRLSGKILHIDFGDCFEVAMTREKFPEKIPFRLTRMLTNAMEVTGLDGNYRITCHTVMEVLREHKDSVMAVLEAFVYDPLLNWRLMDTNTKGNKRSRTRTDSYSAGQSVEILDGVELGEPAHKKTGTTVPESIHSFIGDGLVKPEALNKKAIQIINRVRDKLTGRDFSHDDTLDVPTQVELLIKQATSHENLCQCYIGWCPFW 7TZO,9F45,9F44,9ED8,9ED7,9ED4,8RCN,8RCK,8RCH,8ERA,7UXH,7UXC,6ZWO,6ZWM,5ZCS,5H64,7PE9,7PE8,7PE7,5WBY,5WBU,4JT6,4JT5,4JSX,4JSV,4JSP,4JSN,5FLC,3JBZ,2GAQ,1AUE,5WBH,9NGT,1FAP,4FAP,3FAP,2RSE,2FAP,1NSG,8ER7,8ER6,9DBO,8PPZ,4DRJ,4DRI,4DRH,7EPD Serine/threonine-protein kinase mTOR MTOR_HUMAN P42345 Q4LE76 Q5TER1 Q6LE87 Q96QG3 Q9Y4I3 51608449 CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)C1COC1 |r| InChI=1S/C24H32N6O3/c1-3-25-24(31)26-18-6-4-17(5-7-18)22-27-21-12-29(19-14-33-15-19)9-8-20(21)23(28-22)30-10-11-32-13-16(30)2/h4-7,16,19H,3,8-15H2,1-2H3,(H2,25,26,31) RGJOJUGRHPQXGF-UHFFFAOYSA-N 50428123 GDC-0349::CHEMBL2331680 Serine/threonine-protein kinase mTOR Homo sapiens 3.8 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50428123 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2112&target=Serine%2Fthreonine-protein+kinase+mTOR&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50428123&enzyme=Serine%2Fthreonine-protein+kinase+mTOR&column=ki&startPg=0&Increment=50&submit=Search 59239165 164156998 CHEMBL2331680 1 MLGTGPAAATTAATTSSNVSVLQQFASGLKSRNEETRAKAAKELQHYVTMELREMSQEESTRFYDQLNHHIFELVSSSDANERKGGILAIASLIGVEGGNATRIGRFANYLRNLLPSNDPVVMEMASKAIGRLAMAGDTFTAEYVEFEVKRALEWLGADRNEGRRHAAVLVLRELAISVPTFFFQQVQPFFDNIFVAVWDPKQAIREGAVAALRACLILTTQREPKEMQKPQWYRHTFEEAEKGFDETLAKEKGMNRDDRIHGALLILNELVRISSMEGERLREEMEEITQQQLVHDKYCKDLMGFGTKPRHITPFTSFQAVQPQQSNALVGLLGYSSHQGLMGFGTSPSPAKSTLVESRCCRDLMEEKFDQVCQWVLKCRNSKNSLIQMTILNLLPRLAAFRPSAFTDTQYLQDTMNHVLSCVKKEKERTAAFQALGLLSVAVRSEFKVYLPRVLDIIRAALPPKDFAHKRQKAMQVDATVFTCISMLARAMGPGIQQDIKELLEPMLAVGLSPALTAVLYDLSRQIPQLKKDIQDGLLKMLSLVLMHKPLRHPGMPKGLAHQLASPGLTTLPEASDVGSITLALRTLGSFEFEGHSLTQFVRHCADHFLNSEHKEIRMEAARTCSRLLTPSIHLISGHAHVVSQTAVQVVADVLSKLLVVGITDPDPDIRYCVLASLDERFDAHLAQAENLQALFVALNDQVFEIRELAICTVGRLSSMNPAFVMPFLRKMLIQILTELEHSGIGRIKEQSARMLGHLVSNAPRLIRPYMEPILKALILKLKDPDPDPNPGVINNVLATIGELAQVSGLEMRKWVDELFIIIMDMLQDSSLLAKRQVALWTLGQLVASTGYVVEPYRKYPTLLEVLLNFLKTEQNQGTRREAIRVLGLLGALDPYKHKVNIGMIDQSRDASAVSLSESKSSQDSSDYSTSEMLVNMGNLPLDEFYPAVSMVALMRIFRDQSLSHHHTMVVQAITFIFKSLGLKCVQFLPQVMPTFLNVIRVCDGAIREFLFQQLGMLVSFVKSHIRPYMDEIVTLMREFWVMNTSIQSTIILLIEQIVVALGGEFKLYLPQLIPHMLRVFMHDNSPGRIVSIKLLAAIQLFGANLDDYLHLLLPPIVKLFDAPEAPLPSRKAALETVDRLTESLDFTDYASRIIHPIVRTLDQSPELRSTAMDTLSSLVFQLGKKYQIFIPMVNKVLVRHRINHQRYDVLICRIVKGYTLADEEEDPLIYQHRMLRSGQGDALASGPVETGPMKKLHVSTINLQKAWGAARRVSKDDWLEWLRRLSLELLKDSSSPSLRSCWALAQAYNPMARDLFNAAFVSCWSELNEDQQDELIRSIELALTSQDIAEVTQTLLNLAEFMEHSDKGPLPLRDDNGIVLLGERAAKCRAYAKALHYKELEFQKGPTPAILESLISINNKLQQPEAAAGVLEYAMKHFGELEIQATWYEKLHEWEDALVAYDKKMDTNKDDPELMLGRMRCLEALGEWGQLHQQCCEKWTLVNDETQAKMARMAAAAAWGLGQWDSMEEYTCMIPRDTHDGAFYRAVLALHQDLFSLAQQCIDKARDLLDAELTAMAGESYSRAYGAMVSCHMLSELEEVIQYKLVPERREIIRQIWWERLQGCQRIVEDWQKILMVRSLVVSPHEDMRTWLKYASLCGKSGRLALAHKTLVLLLGVDPSRQLDHPLPTVHPQVTYAYMKNMWKSARKIDAFQHMQHFVQTMQQQAQHAIATEDQQHKQELHKLMARCFLKLGEWQLNLQGINESTIPKVLQYYSAATEHDRSWYKAWHAWAVMNFEAVLHYKHQNQARDEKKKLRHASGANITNATTAATTAATATTTASTEGSNSESEAESTENSPTPSPLQKKVTEDLSKTLLMYTVPAVQGFFRSISLSRGNNLQDTLRVLTLWFDYGHWPDVNEALVEGVKAIQIDTWLQVIPQLIARIDTPRPLVGRLIHQLLTDIGRYHPQALIYPLTVASKSTTTARHNAANKILKNMCEHSNTLVQQAMMVSEELIRVAILWHEMWHEGLEEASRLYFGERNVKGMFEVLEPLHAMMERGPQTLKETSFNQAYGRDLMEAQEWCRKYMKSGNVKDLTQAWDLYYHVFRRISKQLPQLTSLELQYVSPKLLMCRDLELAVPGTYDPNQPIIRIQSIAPSLQVITSKQRPRKLTLMGSNGHEFVFLLKGHEDLRQDERVMQLFGLVNTLLANDPTSLRKNLSIQRYAVIPLSTNSGLIGWVPHCDTLHALIRDYREKKKILLNIEHRIMLRMAPDYDHLTLMQKVEVFEHAVNNTAGDDLAKLLWLKSPSSEVWFDRRTNYTRSLAVMSMVGYILGLGDRHPSNLMLDRLSGKILHIDFGDCFEVAMTREKFPEKIPFRLTRMLTNAMEVTGLDGNYRITCHTVMEVLREHKDSVMAVLEAFVYDPLLNWRLMDTNTKGNKRSRTRTDSYSAGQSVEILDGVELGEPAHKKTGTTVPESIHSFIGDGLVKPEALNKKAIQIINRVRDKLTGRDFSHDDTLDVPTQVELLIKQATSHENLCQCYIGWCPFW 7TZO,9F45,9F44,9ED8,9ED7,9ED4,8RCN,8RCK,8RCH,8ERA,7UXH,7UXC,6ZWO,6ZWM,5ZCS,5H64,7PE9,7PE8,7PE7,5WBY,5WBU,4JT6,4JT5,4JSX,4JSV,4JSP,4JSN,5FLC,3JBZ,2GAQ,1AUE,5WBH,9NGT,1FAP,4FAP,3FAP,2RSE,2FAP,1NSG,8ER7,8ER6,9DBO,8PPZ,4DRJ,4DRI,4DRH,7EPD Serine/threonine-protein kinase mTOR MTOR_HUMAN P42345 Q4LE76 Q5TER1 Q6LE87 Q96QG3 Q9Y4I3 51608450 CNC(=O)Nc1ncc(-c2nc(-c3ccc(CN4CCN(S(C)(=O)=O)CC4)s3)nc(N3CCOCC3)n2)cn1 InChI=1S/C23H30N10O4S2/c1-24-23(34)30-21-25-13-16(14-26-21)19-27-20(29-22(28-19)32-9-11-37-12-10-32)18-4-3-17(38-18)15-31-5-7-33(8-6-31)39(2,35)36/h3-4,13-14H,5-12,15H2,1-2H3,(H2,24,25,26,30,34) LYJJTMKJMIRDGG-UHFFFAOYSA-N 50648393 CHEMBL5613597 Serine/threonine-protein kinase mTOR Human 11 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648393 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2112&target=Serine%2Fthreonine-protein+kinase+mTOR&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648393&enzyme=Serine%2Fthreonine-protein+kinase+mTOR&column=ki&startPg=0&Increment=50&submit=Search 177379242 519663795 1 MLGTGPAAATTAATTSSNVSVLQQFASGLKSRNEETRAKAAKELQHYVTMELREMSQEESTRFYDQLNHHIFELVSSSDANERKGGILAIASLIGVEGGNATRIGRFANYLRNLLPSNDPVVMEMASKAIGRLAMAGDTFTAEYVEFEVKRALEWLGADRNEGRRHAAVLVLRELAISVPTFFFQQVQPFFDNIFVAVWDPKQAIREGAVAALRACLILTTQREPKEMQKPQWYRHTFEEAEKGFDETLAKEKGMNRDDRIHGALLILNELVRISSMEGERLREEMEEITQQQLVHDKYCKDLMGFGTKPRHITPFTSFQAVQPQQSNALVGLLGYSSHQGLMGFGTSPSPAKSTLVESRCCRDLMEEKFDQVCQWVLKCRNSKNSLIQMTILNLLPRLAAFRPSAFTDTQYLQDTMNHVLSCVKKEKERTAAFQALGLLSVAVRSEFKVYLPRVLDIIRAALPPKDFAHKRQKAMQVDATVFTCISMLARAMGPGIQQDIKELLEPMLAVGLSPALTAVLYDLSRQIPQLKKDIQDGLLKMLSLVLMHKPLRHPGMPKGLAHQLASPGLTTLPEASDVGSITLALRTLGSFEFEGHSLTQFVRHCADHFLNSEHKEIRMEAARTCSRLLTPSIHLISGHAHVVSQTAVQVVADVLSKLLVVGITDPDPDIRYCVLASLDERFDAHLAQAENLQALFVALNDQVFEIRELAICTVGRLSSMNPAFVMPFLRKMLIQILTELEHSGIGRIKEQSARMLGHLVSNAPRLIRPYMEPILKALILKLKDPDPDPNPGVINNVLATIGELAQVSGLEMRKWVDELFIIIMDMLQDSSLLAKRQVALWTLGQLVASTGYVVEPYRKYPTLLEVLLNFLKTEQNQGTRREAIRVLGLLGALDPYKHKVNIGMIDQSRDASAVSLSESKSSQDSSDYSTSEMLVNMGNLPLDEFYPAVSMVALMRIFRDQSLSHHHTMVVQAITFIFKSLGLKCVQFLPQVMPTFLNVIRVCDGAIREFLFQQLGMLVSFVKSHIRPYMDEIVTLMREFWVMNTSIQSTIILLIEQIVVALGGEFKLYLPQLIPHMLRVFMHDNSPGRIVSIKLLAAIQLFGANLDDYLHLLLPPIVKLFDAPEAPLPSRKAALETVDRLTESLDFTDYASRIIHPIVRTLDQSPELRSTAMDTLSSLVFQLGKKYQIFIPMVNKVLVRHRINHQRYDVLICRIVKGYTLADEEEDPLIYQHRMLRSGQGDALASGPVETGPMKKLHVSTINLQKAWGAARRVSKDDWLEWLRRLSLELLKDSSSPSLRSCWALAQAYNPMARDLFNAAFVSCWSELNEDQQDELIRSIELALTSQDIAEVTQTLLNLAEFMEHSDKGPLPLRDDNGIVLLGERAAKCRAYAKALHYKELEFQKGPTPAILESLISINNKLQQPEAAAGVLEYAMKHFGELEIQATWYEKLHEWEDALVAYDKKMDTNKDDPELMLGRMRCLEALGEWGQLHQQCCEKWTLVNDETQAKMARMAAAAAWGLGQWDSMEEYTCMIPRDTHDGAFYRAVLALHQDLFSLAQQCIDKARDLLDAELTAMAGESYSRAYGAMVSCHMLSELEEVIQYKLVPERREIIRQIWWERLQGCQRIVEDWQKILMVRSLVVSPHEDMRTWLKYASLCGKSGRLALAHKTLVLLLGVDPSRQLDHPLPTVHPQVTYAYMKNMWKSARKIDAFQHMQHFVQTMQQQAQHAIATEDQQHKQELHKLMARCFLKLGEWQLNLQGINESTIPKVLQYYSAATEHDRSWYKAWHAWAVMNFEAVLHYKHQNQARDEKKKLRHASGANITNATTAATTAATATTTASTEGSNSESEAESTENSPTPSPLQKKVTEDLSKTLLMYTVPAVQGFFRSISLSRGNNLQDTLRVLTLWFDYGHWPDVNEALVEGVKAIQIDTWLQVIPQLIARIDTPRPLVGRLIHQLLTDIGRYHPQALIYPLTVASKSTTTARHNAANKILKNMCEHSNTLVQQAMMVSEELIRVAILWHEMWHEGLEEASRLYFGERNVKGMFEVLEPLHAMMERGPQTLKETSFNQAYGRDLMEAQEWCRKYMKSGNVKDLTQAWDLYYHVFRRISKQLPQLTSLELQYVSPKLLMCRDLELAVPGTYDPNQPIIRIQSIAPSLQVITSKQRPRKLTLMGSNGHEFVFLLKGHEDLRQDERVMQLFGLVNTLLANDPTSLRKNLSIQRYAVIPLSTNSGLIGWVPHCDTLHALIRDYREKKKILLNIEHRIMLRMAPDYDHLTLMQKVEVFEHAVNNTAGDDLAKLLWLKSPSSEVWFDRRTNYTRSLAVMSMVGYILGLGDRHPSNLMLDRLSGKILHIDFGDCFEVAMTREKFPEKIPFRLTRMLTNAMEVTGLDGNYRITCHTVMEVLREHKDSVMAVLEAFVYDPLLNWRLMDTNTKGNKRSRTRTDSYSAGQSVEILDGVELGEPAHKKTGTTVPESIHSFIGDGLVKPEALNKKAIQIINRVRDKLTGRDFSHDDTLDVPTQVELLIKQATSHENLCQCYIGWCPFW 7TZO,9F45,9F44,9ED8,9ED7,9ED4,8RCN,8RCK,8RCH,8ERA,7UXH,7UXC,6ZWO,6ZWM,5ZCS,5H64,7PE9,7PE8,7PE7,5WBY,5WBU,4JT6,4JT5,4JSX,4JSV,4JSP,4JSN,5FLC,3JBZ,2GAQ,1AUE,5WBH,9NGT,1FAP,4FAP,3FAP,2RSE,2FAP,1NSG,8ER7,8ER6,9DBO,8PPZ,4DRJ,4DRI,4DRH,7EPD Serine/threonine-protein kinase mTOR MTOR_HUMAN P42345 Q4LE76 Q5TER1 Q6LE87 Q96QG3 Q9Y4I3 51608451 Cc1cc(C)n(-c2nc(Nc3ccc(Br)cc3)nc(N3CCOCC3)n2)n1 InChI=1S/C18H20BrN7O/c1-12-11-13(2)26(24-12)18-22-16(20-15-5-3-14(19)4-6-15)21-17(23-18)25-7-9-27-10-8-25/h3-6,11H,7-10H2,1-2H3,(H,20,21,22,23) LBWHXYWCJVIIQS-UHFFFAOYSA-N 50648394 CHEMBL5612888 Epidermal growth factor receptor Human 61 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648394 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=520&target=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648394&enzyme=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search 177379243 519663796 1 MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA 3QWQ,1IVO,4UV7,9IPE,9IPD,9IPC,9IPB,9IPA,9IP9,9IP8,9IP7,4KRO,3B2V,4KRP,4UIP,1MOX,5WB8,5WB7,3GOP,8UKV,9P9U,7AEM,7SI1,7B85,5EM8,5CAV,1M17,1M14,4TKS,7UKV,3VJO,8PNZ,7AEI,5UGB,4I23,1XKK,9QXN,9OS6,9NM0,9NJN,9NJ7,9NIS,9NHW,9MST,9MSS,9MSR,9KL4,9H46,9GL9,9GI9,9FRD,8SC7,8G63,6VHP,6VHN,6VH4,6D8E,4ZAU,4WRG,4WKQ,4G5J,3W33,3W32,3W2S,3POZ,2RF9,2J6M,2J5F,2J5E,2ITY,2ITX,2ITW,2GS6,2GS2,7T4I,5FED,9FZS,9FZR,9BY6,9BY4,6JZ0,4JRV,4JR3,4JQ8,4JQ7,8PO0,4LI5,9U8C,7ZYP,7ZYN,7ZYM,6S8A,6S89,8A2A Epidermal growth factor receptor EGFR_HUMAN P00533 O00688 O00732 P06268 Q14225 Q68GS5 Q92795 Q9BZS2 Q9GZX1 Q9H2C9 Q9H3C9 Q9UMD7 Q9UMD8 Q9UMG5 51608452 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) BCFGMOOMADDAQU-UHFFFAOYSA-N 5445 N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine::cid_208908::CHEMBL554::Lapatinib::N-{3-chloro-4-[(3-fluoro-benzyl)oxy]phenyl}-6-[5-({2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine::LAPATINIB DITOSYLATE::GW572016::Tykerb::US9730934, Lapatinib ditosylate::US10507209, Compound Lapatinib::US10822334, Compound Lapatinib Epidermal growth factor receptor Homo sapiens 9.8 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5445 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=520&target=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5445&enzyme=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search 208908 8035064 CHEMBL554 DB01259 1 MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA 3QWQ,1IVO,4UV7,9IPE,9IPD,9IPC,9IPB,9IPA,9IP9,9IP8,9IP7,4KRO,3B2V,4KRP,4UIP,1MOX,5WB8,5WB7,3GOP,8UKV,9P9U,7AEM,7SI1,7B85,5EM8,5CAV,1M17,1M14,4TKS,7UKV,3VJO,8PNZ,7AEI,5UGB,4I23,1XKK,9QXN,9Q0S,9PMZ,9OU9,9OS6,9NM0,9NJN,9NJ7,9NIS,9NHW,9MST,9MSS,9MSR,9KL4,9H47,9H46,9H42,9GL9,9GI9,9FRD,8SC7,8G63,6VHP,6VHN,6VH4,6D8E,4ZAU,4WRG,4WKQ,4G5J,3W33,3W32,3W2S,3POZ,2RF9,2J6M,2J5F,2J5E,2ITY,2ITX,2ITW,2GS6,2GS2,7T4I,5FED,9FZS,9FZR,9BY6,9BY4,6JZ0,4JRV,4JR3,4JQ8,4JQ7,8PO0,4LI5,9U8C Epidermal growth factor receptor EGFR_HUMAN P00533 O00688 O00732 P06268 Q14225 Q68GS5 Q92795 Q9BZS2 Q9GZX1 Q9H2C9 Q9H3C9 Q9UMD7 Q9UMD8 Q9UMG5 51608453 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) BCFGMOOMADDAQU-UHFFFAOYSA-N 5445 N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine::cid_208908::CHEMBL554::Lapatinib::N-{3-chloro-4-[(3-fluoro-benzyl)oxy]phenyl}-6-[5-({2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine::LAPATINIB DITOSYLATE::GW572016::Tykerb::US9730934, Lapatinib ditosylate::US10507209, Compound Lapatinib::US10822334, Compound Lapatinib Receptor tyrosine-protein kinase erbB-2 Homo sapiens 10 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5445 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=188&target=Receptor+tyrosine-protein+kinase+erbB-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5445&enzyme=Receptor+tyrosine-protein+kinase+erbB-2&column=ki&startPg=0&Increment=50&submit=Search 208908 8035064 CHEMBL554 DB01259 1 MELAALCRWGLLLALLPPGAASTQVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNLELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNGDPLNNTTPVTGASPGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLALTLIDTNRSRACHPCSPMCKGSRCWGESSEDCQSLTRTVCAGGCARCKGPLPTDCCHEQCAAGCTGPKHSDCLACLHFNHSGICELHCPALVTYNTDTFESMPNPEGRYTFGASCVTACPYNYLSTDVGSCTLVCPLHNQEVTAEDGTQRCEKCSKPCARVCYGLGMEHLREVRAVTSANIQEFAGCKKIFGSLAFLPESFDGDPASNTAPLQPEQLQVFETLEEITGYLYISAWPDSLPDLSVFQNLQVIRGRILHNGAYSLTLQGLGISWLGLRSLRELGSGLALIHHNTHLCFVHTVPWDQLFRNPHQALLHTANRPEDECVGEGLACHQLCARGHCWGPGPTQCVNCSQFLRGQECVEECRVLQGLPREYVNARHCLPCHPECQPQNGSVTCFGPEADQCVACAHYKDPPFCVARCPSGVKPDLSYMPIWKFPDEEGACQPCPINCTHSCVDLDDKGCPAEQRASPLTSIISAVVGILLVVVLGVVFGILIKRRQQKIRKYTMRRLLQETELVEPLTPSGAMPNQAQMRILKETELRKVKVLGSGAFGTVYKGIWIPDGENVKIPVAIKVLRENTSPKANKEILDEAYVMAGVGSPYVSRLLGICLTSTVQLVTQLMPYGCLLDHVRENRGRLGSQDLLNWCMQIAKGMSYLEDVRLVHRDLAARNVLVKSPNHVKITDFGLARLLDIDETEYHADGGKVPIKWMALESILRRRFTHQSDVWSYGVTVWELMTFGAKPYDGIPAREIPDLLEKGERLPQPPICTIDVYMIMVKCWMIDSECRPRFRELVSEFSRMARDPQRFVVIQNEDLGPASPLDSTFYRSLLEDDDMGDLVDAEEYLVPQQGFFCPDPAPGAGGMVHHRHRSSSTRSGGGDLTLGLEPSEEEAPRSPLAPSEGAGSDVFDGDLGMGAAKGLQSLPTHDPSPLQRYSEDPTVPLPSETDGYVAPLTCSPQPEYVNQPDVRPQPPSPREGPLPAARPAGATLERPKTLSPGKNGVVKDVFAFGGAVENPEYLTPQGGAAPQPHPPPAFSPAFDNLYYWDQDPPERGAPPSTFKGTPTAENPEYLGLDVPV 8HGP,8HGO,6BGT,5KWG,9MTE,6ATT,8Q6J,8PWH,3N85,3MZW,3BE1,1S78,5MY6,8FFJ,6OGE,6J71,5K33,1N8Z,8U4L,8U4K,5O4G,3WSQ,3WLW,8U8X,7JXH Receptor tyrosine-protein kinase erbB-2 ERBB2_HUMAN P04626 B2RZG3 B4DHN3 Q14256 Q6LDV1 Q9UMK4 X5D2V5 51608454 CN(C)c1nc(Cl)nc(NC2=NN(c3ccc(Br)cc3)C(c3ccc(C(F)(F)F)cc3)C2)n1 InChI=1S/C21H18BrClF3N7/c1-32(2)20-29-18(23)28-19(30-20)27-17-11-16(12-3-5-13(6-4-12)21(24,25)26)33(31-17)15-9-7-14(22)8-10-15/h3-10,16H,11H2,1-2H3,(H,27,28,29,30,31) YUDPMMGOENEEFA-UHFFFAOYSA-N 50648395 CHEMBL5612514 Epidermal growth factor receptor Human 287 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648395 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=520&target=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648395&enzyme=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search 177379244 519663797 1 MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA 3QWQ,1IVO,4UV7,9IPE,9IPD,9IPC,9IPB,9IPA,9IP9,9IP8,9IP7,4KRO,3B2V,4KRP,4UIP,1MOX,5WB8,5WB7,3GOP,8UKV,9P9U,7AEM,7SI1,7B85,5EM8,5CAV,1M17,1M14,4TKS,7UKV,3VJO,8PNZ,7AEI,5UGB,4I23,1XKK,9QXN,9OS6,9NM0,9NJN,9NJ7,9NIS,9NHW,9MST,9MSS,9MSR,9KL4,9H46,9GL9,9GI9,9FRD,8SC7,8G63,6VHP,6VHN,6VH4,6D8E,4ZAU,4WRG,4WKQ,4G5J,3W33,3W32,3W2S,3POZ,2RF9,2J6M,2J5F,2J5E,2ITY,2ITX,2ITW,2GS6,2GS2,7T4I,5FED,9FZS,9FZR,9BY6,9BY4,6JZ0,4JRV,4JR3,4JQ8,4JQ7,8PO0,4LI5,9U8C,7ZYP,7ZYN,7ZYM,6S8A,6S89,8A2A Epidermal growth factor receptor EGFR_HUMAN P00533 O00688 O00732 P06268 Q14225 Q68GS5 Q92795 Q9BZS2 Q9GZX1 Q9H2C9 Q9H3C9 Q9UMD7 Q9UMD8 Q9UMG5 51608455 CN(C)c1nc(Cl)nc(NC2=NN(c3ccc(C(F)(F)F)cc3)C(c3ccc(C(F)(F)F)cc3)C2)n1 InChI=1S/C22H18ClF6N7/c1-35(2)20-32-18(23)31-19(33-20)30-17-11-16(12-3-5-13(6-4-12)21(24,25)26)36(34-17)15-9-7-14(8-10-15)22(27,28)29/h3-10,16H,11H2,1-2H3,(H,30,31,32,33,34) PNWPHKDNLYGSIP-UHFFFAOYSA-N 50648396 CHEMBL5613826 Epidermal growth factor receptor Human 229 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648396 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=520&target=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648396&enzyme=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search 177379245 519663798 1 MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA 3QWQ,1IVO,4UV7,9IPE,9IPD,9IPC,9IPB,9IPA,9IP9,9IP8,9IP7,4KRO,3B2V,4KRP,4UIP,1MOX,5WB8,5WB7,3GOP,8UKV,9P9U,7AEM,7SI1,7B85,5EM8,5CAV,1M17,1M14,4TKS,7UKV,3VJO,8PNZ,7AEI,5UGB,4I23,1XKK,9QXN,9OS6,9NM0,9NJN,9NJ7,9NIS,9NHW,9MST,9MSS,9MSR,9KL4,9H46,9GL9,9GI9,9FRD,8SC7,8G63,6VHP,6VHN,6VH4,6D8E,4ZAU,4WRG,4WKQ,4G5J,3W33,3W32,3W2S,3POZ,2RF9,2J6M,2J5F,2J5E,2ITY,2ITX,2ITW,2GS6,2GS2,7T4I,5FED,9FZS,9FZR,9BY6,9BY4,6JZ0,4JRV,4JR3,4JQ8,4JQ7,8PO0,4LI5,9U8C,7ZYP,7ZYN,7ZYM,6S8A,6S89,8A2A Epidermal growth factor receptor EGFR_HUMAN P00533 O00688 O00732 P06268 Q14225 Q68GS5 Q92795 Q9BZS2 Q9GZX1 Q9H2C9 Q9H3C9 Q9UMD7 Q9UMD8 Q9UMG5 51608456 O=C1CN(c2nc(Nc3ccccc3[N+](=O)[O-])nc(Nc3ccccc3[N+](=O)[O-])n2)C(=O)S1 InChI=1S/C18H12N8O6S/c27-14-9-24(18(28)33-14)17-22-15(19-10-5-1-3-7-12(10)25(29)30)21-16(23-17)20-11-6-2-4-8-13(11)26(31)32/h1-8H,9H2,(H2,19,20,21,22,23) MNECVGGCQHVYGV-UHFFFAOYSA-N 50648397 CHEMBL5612046 Epidermal growth factor receptor Human 8450 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648397 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=520&target=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648397&enzyme=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search 177379246 519663799 1 MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA 3QWQ,1IVO,4UV7,9IPE,9IPD,9IPC,9IPB,9IPA,9IP9,9IP8,9IP7,4KRO,3B2V,4KRP,4UIP,1MOX,5WB8,5WB7,3GOP,8UKV,9P9U,7AEM,7SI1,7B85,5EM8,5CAV,1M17,1M14,4TKS,7UKV,3VJO,8PNZ,7AEI,5UGB,4I23,1XKK,9QXN,9OS6,9NM0,9NJN,9NJ7,9NIS,9NHW,9MST,9MSS,9MSR,9KL4,9H46,9GL9,9GI9,9FRD,8SC7,8G63,6VHP,6VHN,6VH4,6D8E,4ZAU,4WRG,4WKQ,4G5J,3W33,3W32,3W2S,3POZ,2RF9,2J6M,2J5F,2J5E,2ITY,2ITX,2ITW,2GS6,2GS2,7T4I,5FED,9FZS,9FZR,9BY6,9BY4,6JZ0,4JRV,4JR3,4JQ8,4JQ7,8PO0,4LI5,9U8C,7ZYP,7ZYN,7ZYM,6S8A,6S89,8A2A Epidermal growth factor receptor EGFR_HUMAN P00533 O00688 O00732 P06268 Q14225 Q68GS5 Q92795 Q9BZS2 Q9GZX1 Q9H2C9 Q9H3C9 Q9UMD7 Q9UMD8 Q9UMG5 51608457 O=C1CN(c2nc(Nc3cccc(Cl)c3)nc(Nc3cccc(Cl)c3)n2)C(=O)S1 InChI=1S/C18H12Cl2N6O2S/c19-10-3-1-5-12(7-10)21-15-23-16(22-13-6-2-4-11(20)8-13)25-17(24-15)26-9-14(27)29-18(26)28/h1-8H,9H2,(H2,21,22,23,24,25) KPVDYBPAYOYBEP-UHFFFAOYSA-N 50648398 CHEMBL5612976 Epidermal growth factor receptor Human 2540 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648398 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=520&target=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648398&enzyme=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search 177379247 519663800 1 MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA 3QWQ,1IVO,4UV7,9IPE,9IPD,9IPC,9IPB,9IPA,9IP9,9IP8,9IP7,4KRO,3B2V,4KRP,4UIP,1MOX,5WB8,5WB7,3GOP,8UKV,9P9U,7AEM,7SI1,7B85,5EM8,5CAV,1M17,1M14,4TKS,7UKV,3VJO,8PNZ,7AEI,5UGB,4I23,1XKK,9QXN,9OS6,9NM0,9NJN,9NJ7,9NIS,9NHW,9MST,9MSS,9MSR,9KL4,9H46,9GL9,9GI9,9FRD,8SC7,8G63,6VHP,6VHN,6VH4,6D8E,4ZAU,4WRG,4WKQ,4G5J,3W33,3W32,3W2S,3POZ,2RF9,2J6M,2J5F,2J5E,2ITY,2ITX,2ITW,2GS6,2GS2,7T4I,5FED,9FZS,9FZR,9BY6,9BY4,6JZ0,4JRV,4JR3,4JQ8,4JQ7,8PO0,4LI5,9U8C,7ZYP,7ZYN,7ZYM,6S8A,6S89,8A2A Epidermal growth factor receptor EGFR_HUMAN P00533 O00688 O00732 P06268 Q14225 Q68GS5 Q92795 Q9BZS2 Q9GZX1 Q9H2C9 Q9H3C9 Q9UMD7 Q9UMD8 Q9UMG5 51608458 Cc1nc2cc(Br)c(Br)cc2c(=O)n1-c1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCCCC3)n2)cc1 InChI=1S/C29H25Br2ClN8O/c1-17-33-25-16-24(31)23(30)15-22(25)26(41)40(17)21-11-9-20(10-12-21)35-28-36-27(34-19-7-5-18(32)6-8-19)37-29(38-28)39-13-3-2-4-14-39/h5-12,15-16H,2-4,13-14H2,1H3,(H2,34,35,36,37,38) WMYLXIGUUDDUJW-UHFFFAOYSA-N 50648399 CHEMBL5612021 Epidermal growth factor receptor Human 41 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648399 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=520&target=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648399&enzyme=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search 177379248 519663801 1 MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA 3QWQ,1IVO,4UV7,9IPE,9IPD,9IPC,9IPB,9IPA,9IP9,9IP8,9IP7,4KRO,3B2V,4KRP,4UIP,1MOX,5WB8,5WB7,3GOP,8UKV,9P9U,7AEM,7SI1,7B85,5EM8,5CAV,1M17,1M14,4TKS,7UKV,3VJO,8PNZ,7AEI,5UGB,4I23,1XKK,9QXN,9OS6,9NM0,9NJN,9NJ7,9NIS,9NHW,9MST,9MSS,9MSR,9KL4,9H46,9GL9,9GI9,9FRD,8SC7,8G63,6VHP,6VHN,6VH4,6D8E,4ZAU,4WRG,4WKQ,4G5J,3W33,3W32,3W2S,3POZ,2RF9,2J6M,2J5F,2J5E,2ITY,2ITX,2ITW,2GS6,2GS2,7T4I,5FED,9FZS,9FZR,9BY6,9BY4,6JZ0,4JRV,4JR3,4JQ8,4JQ7,8PO0,4LI5,9U8C,7ZYP,7ZYN,7ZYM,6S8A,6S89,8A2A Epidermal growth factor receptor EGFR_HUMAN P00533 O00688 O00732 P06268 Q14225 Q68GS5 Q92795 Q9BZS2 Q9GZX1 Q9H2C9 Q9H3C9 Q9UMD7 Q9UMD8 Q9UMG5 51608459 Cc1nc2cc(Br)c(Br)cc2c(=O)n1-c1ccc(Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1 InChI=1S/C27H28Br2N8O2/c1-17-30-23-16-22(29)21(28)15-20(23)24(38)37(17)19-7-5-18(6-8-19)31-25-32-26(35-9-3-2-4-10-35)34-27(33-25)36-11-13-39-14-12-36/h5-8,15-16H,2-4,9-14H2,1H3,(H,31,32,33,34) WIFZCGXKYZPZSV-UHFFFAOYSA-N 50648400 CHEMBL5612851 Epidermal growth factor receptor Human 37 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648400 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=520&target=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648400&enzyme=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search 177379249 519663802 1 MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA 3QWQ,1IVO,4UV7,9IPE,9IPD,9IPC,9IPB,9IPA,9IP9,9IP8,9IP7,4KRO,3B2V,4KRP,4UIP,1MOX,5WB8,5WB7,3GOP,8UKV,9P9U,7AEM,7SI1,7B85,5EM8,5CAV,1M17,1M14,4TKS,7UKV,3VJO,8PNZ,7AEI,5UGB,4I23,1XKK,9QXN,9OS6,9NM0,9NJN,9NJ7,9NIS,9NHW,9MST,9MSS,9MSR,9KL4,9H46,9GL9,9GI9,9FRD,8SC7,8G63,6VHP,6VHN,6VH4,6D8E,4ZAU,4WRG,4WKQ,4G5J,3W33,3W32,3W2S,3POZ,2RF9,2J6M,2J5F,2J5E,2ITY,2ITX,2ITW,2GS6,2GS2,7T4I,5FED,9FZS,9FZR,9BY6,9BY4,6JZ0,4JRV,4JR3,4JQ8,4JQ7,8PO0,4LI5,9U8C,7ZYP,7ZYN,7ZYM,6S8A,6S89,8A2A Epidermal growth factor receptor EGFR_HUMAN P00533 O00688 O00732 P06268 Q14225 Q68GS5 Q92795 Q9BZS2 Q9GZX1 Q9H2C9 Q9H3C9 Q9UMD7 Q9UMD8 Q9UMG5 51608460 Cc1nc2cc(Br)c(Br)cc2c(=O)n1-c1ccc(Nc2nc(Nc3ccc(Br)cc3)nc(N3CCCCC3)n2)cc1 InChI=1S/C29H25Br3N8O/c1-17-33-25-16-24(32)23(31)15-22(25)26(41)40(17)21-11-9-20(10-12-21)35-28-36-27(34-19-7-5-18(30)6-8-19)37-29(38-28)39-13-3-2-4-14-39/h5-12,15-16H,2-4,13-14H2,1H3,(H2,34,35,36,37,38) VLTOVKRRNQGQEC-UHFFFAOYSA-N 50648401 CHEMBL5613341 Epidermal growth factor receptor Human 37 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648401 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=520&target=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648401&enzyme=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search 177379250 519663803 1 MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA 3QWQ,1IVO,4UV7,9IPE,9IPD,9IPC,9IPB,9IPA,9IP9,9IP8,9IP7,4KRO,3B2V,4KRP,4UIP,1MOX,5WB8,5WB7,3GOP,8UKV,9P9U,7AEM,7SI1,7B85,5EM8,5CAV,1M17,1M14,4TKS,7UKV,3VJO,8PNZ,7AEI,5UGB,4I23,1XKK,9QXN,9OS6,9NM0,9NJN,9NJ7,9NIS,9NHW,9MST,9MSS,9MSR,9KL4,9H46,9GL9,9GI9,9FRD,8SC7,8G63,6VHP,6VHN,6VH4,6D8E,4ZAU,4WRG,4WKQ,4G5J,3W33,3W32,3W2S,3POZ,2RF9,2J6M,2J5F,2J5E,2ITY,2ITX,2ITW,2GS6,2GS2,7T4I,5FED,9FZS,9FZR,9BY6,9BY4,6JZ0,4JRV,4JR3,4JQ8,4JQ7,8PO0,4LI5,9U8C,7ZYP,7ZYN,7ZYM,6S8A,6S89,8A2A Epidermal growth factor receptor EGFR_HUMAN P00533 O00688 O00732 P06268 Q14225 Q68GS5 Q92795 Q9BZS2 Q9GZX1 Q9H2C9 Q9H3C9 Q9UMD7 Q9UMD8 Q9UMG5 51608461 CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCOCC4 InChI=1S/C22H25N7O3/c1-23-20(30)16-5-3-4-6-17(16)26-21-24-14-25-22(28-21)27-18-8-7-15(13-19(18)31-2)29-9-11-32-12-10-29/h3-8,13-14H,9-12H2,1-2H3,(H,23,30)(H2,24,25,26,27,28) MMFUMGAALISETK-UHFFFAOYSA-N 50438051 CHEMBL2409589 Focal adhesion kinase 1 Homo sapiens 320 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50438051 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2871&target=Focal+adhesion+kinase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50438051&enzyme=Focal+adhesion+kinase+1&column=ki&startPg=0&Increment=50&submit=Search KGW 4BRX 59284564 175450368 CHEMBL2409589 1 MAAAYLDPNLNHTPNSSTKTHLGTGMERSPGAMERVLKVFHYFESNSEPTTWASIIRHGDATDVRGIIQKIVDSHKVKHVACYGFRLSHLRSEEVHWLHVDMGVSSVREKYELAHPPEEWKYELRIRYLPKGFLNQFTEDKPTLNFFYQQVKSDYMLEIADQVDQEIALKLGCLEIRRSYWEMRGNALEKKSNYEVLEKDVGLKRFFPKSLLDSVKAKTLRKLIQQTFRQFANLNREESILKFFEILSPVYRFDKECFKCALGSSWIISVELAIGPEEGISYLTDKGCNPTHLADFTQVQTIQYSNSEDKDRKGMLQLKIAGAPEPLTVTAPSLTIAENMADLIDGYCRLVNGTSQSFIIRPQKEGERALPSIPKLANSEKQGMRTHAVSVSETDDYAEIIDEEDTYTMPSTRDYEIQRERIELGRCIGEGQFGDVHQGIYMSPENPALAVAIKTCKNCTSDSVREKFLQEALTMRQFDHPHIVKLIGVITENPVWIIMELCTLGELRSFLQVRKYSLDLASLILYAYQLSTALAYLESKRFVHRDIAARNVLVSSNDCVKLGDFGLSRYMEDSTYYKASKGKLPIKWMAPESINFRRFTSASDVWMFGVCMWEILMHGVKPFQGVKNNDVIGRIENGERLPMPPNCPPTLYSLMTKCWAYDPSRRPRFTELKAQLSTILEEEKAQQEERMRMESRRQATVSWDSGGSDEAPPKPSRPGYPSPRSSEGFYPSPQHMVQTNHYQVSGYPGSHGITAMAGSIYPGQASLLDQTDSWNHRPQEIAMWQPNVEDSTVLDLRGIGQVLPTHLMEERLIRQQQEMEEDQRWLEKEERFLKPDVRLSRGSIDREDGSLQGPIGNQHIYQPVGKPDPAAPPKKPPRPGAPGHLGSLASLSSPADSYNEGVKLQPQEISPPPTANLDRSNDKVYENVTGLVKAVIEMSSKIQPAPPEEYVPMVKEVGLALRTLLATVDETIPLLPASTHREIEMAQKLLNSDLGELINKMKLAQQYVMTSLQQEYKKQMLTAAHALAVDAKNLLDVIDQARLKMLGQTRPH 4NY0,6YXV,6YVY,6YVS,6YT6,6YR9,6YQ1,6YOJ,6I8Z,4KAO,4GU6,3PXK,2IJM,2ETM,9SDI,4KAB,4K9Y,4K8A,4GU9,4Q9S,4I4F,4I4E,1MP8,3BZ3,4EBW,4EBV,7PI4,3B71,1K05,1K04,3S9O,1OW8,1OW7,1OW6,7W9U,7W8I,7W8B,7W7Z,1KTM,2L6H,2L6G,2L6F,6PW8 Focal adhesion kinase 1 FAK1_HUMAN Q05397 B4E2N6 F5H4S4 J3QT16 Q14291 Q8IYN9 Q9UD85 51608462 CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC InChI=1S/C20H22N6O4/c1-21-18(27)13-7-5-6-8-14(13)25-20-23-11-22-19(26-20)24-12-9-15(28-2)17(30-4)16(10-12)29-3/h5-11H,1-4H3,(H,21,27)(H2,22,23,24,25,26) UQGQBHYGCQYHMP-UHFFFAOYSA-N 50438033 CHEMBL2409605 Focal adhesion kinase 1 Homo sapiens 400 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50438033 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2871&target=Focal+adhesion+kinase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50438033&enzyme=Focal+adhesion+kinase+1&column=ki&startPg=0&Increment=50&submit=Search 5RI 4C7T 71812784 175450350 CHEMBL2409605 1 MAAAYLDPNLNHTPNSSTKTHLGTGMERSPGAMERVLKVFHYFESNSEPTTWASIIRHGDATDVRGIIQKIVDSHKVKHVACYGFRLSHLRSEEVHWLHVDMGVSSVREKYELAHPPEEWKYELRIRYLPKGFLNQFTEDKPTLNFFYQQVKSDYMLEIADQVDQEIALKLGCLEIRRSYWEMRGNALEKKSNYEVLEKDVGLKRFFPKSLLDSVKAKTLRKLIQQTFRQFANLNREESILKFFEILSPVYRFDKECFKCALGSSWIISVELAIGPEEGISYLTDKGCNPTHLADFTQVQTIQYSNSEDKDRKGMLQLKIAGAPEPLTVTAPSLTIAENMADLIDGYCRLVNGTSQSFIIRPQKEGERALPSIPKLANSEKQGMRTHAVSVSETDDYAEIIDEEDTYTMPSTRDYEIQRERIELGRCIGEGQFGDVHQGIYMSPENPALAVAIKTCKNCTSDSVREKFLQEALTMRQFDHPHIVKLIGVITENPVWIIMELCTLGELRSFLQVRKYSLDLASLILYAYQLSTALAYLESKRFVHRDIAARNVLVSSNDCVKLGDFGLSRYMEDSTYYKASKGKLPIKWMAPESINFRRFTSASDVWMFGVCMWEILMHGVKPFQGVKNNDVIGRIENGERLPMPPNCPPTLYSLMTKCWAYDPSRRPRFTELKAQLSTILEEEKAQQEERMRMESRRQATVSWDSGGSDEAPPKPSRPGYPSPRSSEGFYPSPQHMVQTNHYQVSGYPGSHGITAMAGSIYPGQASLLDQTDSWNHRPQEIAMWQPNVEDSTVLDLRGIGQVLPTHLMEERLIRQQQEMEEDQRWLEKEERFLKPDVRLSRGSIDREDGSLQGPIGNQHIYQPVGKPDPAAPPKKPPRPGAPGHLGSLASLSSPADSYNEGVKLQPQEISPPPTANLDRSNDKVYENVTGLVKAVIEMSSKIQPAPPEEYVPMVKEVGLALRTLLATVDETIPLLPASTHREIEMAQKLLNSDLGELINKMKLAQQYVMTSLQQEYKKQMLTAAHALAVDAKNLLDVIDQARLKMLGQTRPH 4NY0,6YXV,6YVY,6YVS,6YT6,6YR9,6YQ1,6YOJ,6I8Z,4KAO,4GU6,3PXK,2IJM,2ETM,9SDI,4KAB,4K9Y,4K8A,4GU9,4Q9S,4I4F,4I4E,1MP8,3BZ3,4EBW,4EBV,7PI4,3B71,1K05,1K04,3S9O,1OW8,1OW7,1OW6,7W9U,7W8I,7W8B,7W7Z,1KTM,2L6H,2L6G,2L6F,6PW8 Focal adhesion kinase 1 FAK1_HUMAN Q05397 B4E2N6 F5H4S4 J3QT16 Q14291 Q8IYN9 Q9UD85 51608463 CNC(=O)c1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1 InChI=1S/C18H19N7O/c1-20-16(26)14-4-2-3-5-15(14)24-18-22-11-21-17(25-18)23-13-8-6-12(10-19)7-9-13/h2-9,11H,10,19H2,1H3,(H,20,26)(H2,21,22,23,24,25) LMSIUSJNFLQITQ-UHFFFAOYSA-N 50438048 CHEMBL2409592 Focal adhesion kinase 1 Homo sapiens 160 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50438048 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2871&target=Focal+adhesion+kinase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50438048&enzyme=Focal+adhesion+kinase+1&column=ki&startPg=0&Increment=50&submit=Search 71813143 175450365 CHEMBL2409592 1 MAAAYLDPNLNHTPNSSTKTHLGTGMERSPGAMERVLKVFHYFESNSEPTTWASIIRHGDATDVRGIIQKIVDSHKVKHVACYGFRLSHLRSEEVHWLHVDMGVSSVREKYELAHPPEEWKYELRIRYLPKGFLNQFTEDKPTLNFFYQQVKSDYMLEIADQVDQEIALKLGCLEIRRSYWEMRGNALEKKSNYEVLEKDVGLKRFFPKSLLDSVKAKTLRKLIQQTFRQFANLNREESILKFFEILSPVYRFDKECFKCALGSSWIISVELAIGPEEGISYLTDKGCNPTHLADFTQVQTIQYSNSEDKDRKGMLQLKIAGAPEPLTVTAPSLTIAENMADLIDGYCRLVNGTSQSFIIRPQKEGERALPSIPKLANSEKQGMRTHAVSVSETDDYAEIIDEEDTYTMPSTRDYEIQRERIELGRCIGEGQFGDVHQGIYMSPENPALAVAIKTCKNCTSDSVREKFLQEALTMRQFDHPHIVKLIGVITENPVWIIMELCTLGELRSFLQVRKYSLDLASLILYAYQLSTALAYLESKRFVHRDIAARNVLVSSNDCVKLGDFGLSRYMEDSTYYKASKGKLPIKWMAPESINFRRFTSASDVWMFGVCMWEILMHGVKPFQGVKNNDVIGRIENGERLPMPPNCPPTLYSLMTKCWAYDPSRRPRFTELKAQLSTILEEEKAQQEERMRMESRRQATVSWDSGGSDEAPPKPSRPGYPSPRSSEGFYPSPQHMVQTNHYQVSGYPGSHGITAMAGSIYPGQASLLDQTDSWNHRPQEIAMWQPNVEDSTVLDLRGIGQVLPTHLMEERLIRQQQEMEEDQRWLEKEERFLKPDVRLSRGSIDREDGSLQGPIGNQHIYQPVGKPDPAAPPKKPPRPGAPGHLGSLASLSSPADSYNEGVKLQPQEISPPPTANLDRSNDKVYENVTGLVKAVIEMSSKIQPAPPEEYVPMVKEVGLALRTLLATVDETIPLLPASTHREIEMAQKLLNSDLGELINKMKLAQQYVMTSLQQEYKKQMLTAAHALAVDAKNLLDVIDQARLKMLGQTRPH 4NY0,6YXV,6YVY,6YVS,6YT6,6YR9,6YQ1,6YOJ,6I8Z,4KAO,4GU6,3PXK,2IJM,2ETM,9SDI,4KAB,4K9Y,4K8A,4GU9,4Q9S,4I4F,4I4E,1MP8,3BZ3,4EBW,4EBV,7PI4,3B71,1K05,1K04,3S9O,1OW8,1OW7,1OW6,7W9U,7W8I,7W8B,7W7Z,1KTM,2L6H,2L6G,2L6F,6PW8 Focal adhesion kinase 1 FAK1_HUMAN Q05397 B4E2N6 F5H4S4 J3QT16 Q14291 Q8IYN9 Q9UD85 51608464 CCNC(=O)c1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1 InChI=1S/C19H21N7O/c1-2-21-17(27)15-5-3-4-6-16(15)25-19-23-12-22-18(26-19)24-14-9-7-13(11-20)8-10-14/h3-10,12H,2,11,20H2,1H3,(H,21,27)(H2,22,23,24,25,26) UZCDUNNWESYQDI-UHFFFAOYSA-N 50438047 CHEMBL2409593 Focal adhesion kinase 1 Homo sapiens 440 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50438047 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2871&target=Focal+adhesion+kinase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50438047&enzyme=Focal+adhesion+kinase+1&column=ki&startPg=0&Increment=50&submit=Search 71813144 175450364 CHEMBL2409593 1 MAAAYLDPNLNHTPNSSTKTHLGTGMERSPGAMERVLKVFHYFESNSEPTTWASIIRHGDATDVRGIIQKIVDSHKVKHVACYGFRLSHLRSEEVHWLHVDMGVSSVREKYELAHPPEEWKYELRIRYLPKGFLNQFTEDKPTLNFFYQQVKSDYMLEIADQVDQEIALKLGCLEIRRSYWEMRGNALEKKSNYEVLEKDVGLKRFFPKSLLDSVKAKTLRKLIQQTFRQFANLNREESILKFFEILSPVYRFDKECFKCALGSSWIISVELAIGPEEGISYLTDKGCNPTHLADFTQVQTIQYSNSEDKDRKGMLQLKIAGAPEPLTVTAPSLTIAENMADLIDGYCRLVNGTSQSFIIRPQKEGERALPSIPKLANSEKQGMRTHAVSVSETDDYAEIIDEEDTYTMPSTRDYEIQRERIELGRCIGEGQFGDVHQGIYMSPENPALAVAIKTCKNCTSDSVREKFLQEALTMRQFDHPHIVKLIGVITENPVWIIMELCTLGELRSFLQVRKYSLDLASLILYAYQLSTALAYLESKRFVHRDIAARNVLVSSNDCVKLGDFGLSRYMEDSTYYKASKGKLPIKWMAPESINFRRFTSASDVWMFGVCMWEILMHGVKPFQGVKNNDVIGRIENGERLPMPPNCPPTLYSLMTKCWAYDPSRRPRFTELKAQLSTILEEEKAQQEERMRMESRRQATVSWDSGGSDEAPPKPSRPGYPSPRSSEGFYPSPQHMVQTNHYQVSGYPGSHGITAMAGSIYPGQASLLDQTDSWNHRPQEIAMWQPNVEDSTVLDLRGIGQVLPTHLMEERLIRQQQEMEEDQRWLEKEERFLKPDVRLSRGSIDREDGSLQGPIGNQHIYQPVGKPDPAAPPKKPPRPGAPGHLGSLASLSSPADSYNEGVKLQPQEISPPPTANLDRSNDKVYENVTGLVKAVIEMSSKIQPAPPEEYVPMVKEVGLALRTLLATVDETIPLLPASTHREIEMAQKLLNSDLGELINKMKLAQQYVMTSLQQEYKKQMLTAAHALAVDAKNLLDVIDQARLKMLGQTRPH 4NY0,6YXV,6YVY,6YVS,6YT6,6YR9,6YQ1,6YOJ,6I8Z,4KAO,4GU6,3PXK,2IJM,2ETM,9SDI,4KAB,4K9Y,4K8A,4GU9,4Q9S,4I4F,4I4E,1MP8,3BZ3,4EBW,4EBV,7PI4,3B71,1K05,1K04,3S9O,1OW8,1OW7,1OW6,7W9U,7W8I,7W8B,7W7Z,1KTM,2L6H,2L6G,2L6F,6PW8 Focal adhesion kinase 1 FAK1_HUMAN Q05397 B4E2N6 F5H4S4 J3QT16 Q14291 Q8IYN9 Q9UD85 51608465 NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(Nc3ccc(O)cc3)n2)cc1 InChI=1S/C16H15ClN6O3S/c17-14-21-15(19-9-10-1-7-13(8-2-10)27(18,25)26)23-16(22-14)20-11-3-5-12(24)6-4-11/h1-8,24H,9H2,(H2,18,25,26)(H2,19,20,21,22,23) IFRQFKKVGZRIBZ-UHFFFAOYSA-N 50648402 CHEMBL5612196 Carbonic anhydrase 9 Human 0.400000 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648402 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1233&target=Carbonic+anhydrase+9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648402&enzyme=Carbonic+anhydrase+9&column=ki&startPg=0&Increment=50&submit=Search 177379251 519663804 1 MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPLGEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPGDPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASFPAGVDSSPRAAEPVQLNSCLAAGDILALVFGLLFAVTSVAFLVQMRRQHRRGTKGGVSYRPAEVAETGA 6Y74 Carbonic anhydrase 9 CAH9_HUMAN Q16790 Q5T4R1 51608466 N#C/C(=C\c1cccc(F)c1)c1nc(N)nc(Nc2ccc(S(N)(=O)=O)cc2)n1 InChI=1S/C18H14FN7O2S/c19-13-3-1-2-11(9-13)8-12(10-20)16-24-17(21)26-18(25-16)23-14-4-6-15(7-5-14)29(22,27)28/h1-9H,(H2,22,27,28)(H3,21,23,24,25,26) LYKLDQQNRMNZNW-UHFFFAOYSA-N 50648403 CHEMBL5614047 Carbonic anhydrase 9 Human 39 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648403 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1233&target=Carbonic+anhydrase+9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648403&enzyme=Carbonic+anhydrase+9&column=ki&startPg=0&Increment=50&submit=Search 171396110 519663805 1 MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPLGEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPGDPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASFPAGVDSSPRAAEPVQLNSCLAAGDILALVFGLLFAVTSVAFLVQMRRQHRRGTKGGVSYRPAEVAETGA 6Y74 Carbonic anhydrase 9 CAH9_HUMAN Q16790 Q5T4R1 51608467 CN(C)c1ccc(/C=C(\C#N)c2nc(N)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1 InChI=1S/C20H20N8O2S/c1-28(2)16-7-3-13(4-8-16)11-14(12-21)18-25-19(22)27-20(26-18)24-15-5-9-17(10-6-15)31(23,29)30/h3-11H,1-2H3,(H2,23,29,30)(H3,22,24,25,26,27) MJQFSCQHAOTUNM-UHFFFAOYSA-N 50648404 CHEMBL5613274 Carbonic anhydrase 9 Human 190 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648404 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1233&target=Carbonic+anhydrase+9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648404&enzyme=Carbonic+anhydrase+9&column=ki&startPg=0&Increment=50&submit=Search 170454054 519663806 1 MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPLGEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPGDPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASFPAGVDSSPRAAEPVQLNSCLAAGDILALVFGLLFAVTSVAFLVQMRRQHRRGTKGGVSYRPAEVAETGA 6Y74 Carbonic anhydrase 9 CAH9_HUMAN Q16790 Q5T4R1 51608468 O=C(O)CNc1nc(NCC(=O)O)nc(NNC(=O)c2ccc(Nc3nc(Nc4ccc(C(=O)NNc5nc(NCC(=O)O)nc(NCC(=O)O)n5)cc4)nc(Nc4ccc(C(=O)NNc5nc(NCC(=O)O)nc(NCC(=O)O)n5)cc4)n3)cc2)n1 InChI=1S/C45H45N27O15/c73-25(74)13-46-34-55-35(47-14-26(75)76)59-43(58-34)70-67-31(85)19-1-7-22(8-2-19)52-40-64-41(53-23-9-3-20(4-10-23)32(86)68-71-44-60-36(48-15-27(77)78)56-37(61-44)49-16-28(79)80)66-42(65-40)54-24-11-5-21(6-12-24)33(87)69-72-45-62-38(50-17-29(81)82)57-39(63-45)51-18-30(83)84/h1-12H,13-18H2,(H,67,85)(H,68,86)(H,69,87)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H3,46,47,55,58,59,70)(H3,48,49,56,60,61,71)(H3,50,51,57,62,63,72)(H3,52,53,54,64,65,66) WXMUXNHNFVCNMU-UHFFFAOYSA-N 50648405 CHEMBL5612602 72 kDa type IV collagenase Human 630 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648405 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=112&target=72+kDa+type+IV+collagenase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648405&enzyme=72+kDa+type+IV+collagenase&column=ki&startPg=0&Increment=50&submit=Search 177379252 519663807 1 MEALMARGALTGPLRALCLLGCLLSHAAAAPSPIIKFPGDVAPKTDKELAVQYLNTFYGCPKESCNLFVLKDTLKKMQKFFGLPQTGDLDQNTIETMRKPRCGNPDVANYNFFPRKPKWDKNQITYRIIGYTPDLDPETVDDAFARAFQVWSDVTPLRFSRIHDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGTGVGGDSHFDDDELWTLGEGQVVRVKYGNADGEYCKFPFLFNGKEYNSCTDTGRSDGFLWCSTTYNFEKDGKYGFCPHEALFTMGGNAEGQPCKFPFRFQGTSYDSCTTEGRTDGYRWCGTTEDYDRDKKYGFCPETAMSTVGGNSEGAPCVFPFTFLGNKYESCTSAGRSDGKMWCATTANYDDDRKWGFCPDQGYSLFLVAAHEFGHAMGLEHSQDPGALMAPIYTYTKNFRLSQDDIKGIQELYGASPDIDLGTGPTPTLGPVTPEICKQDIVFDGIAQIRGEIFFFKDRFIWRTVTPRDKPMGPLLVATFWPELPEKIDAVYEAPQEEKAVFFAGNEYWIYSASTLERGYPKPLTSLGLPPDVQRVDAAFNWSKNKKTYIFAGDKFWRYNEVKKKMDPGFPKLIADAWNAIPDNLDAVVDLQGGGHSYFFKGAYYLKLENQSLKSVKFGSIKSDWLGC 1GEN,1RTG,1HOV,1CXW 72 kDa type IV collagenase MMP2_HUMAN P08253 B2R6U1 B4DWH3 E9PE45 Q9UCJ8 51608469 O=C(O)CNc1nc(NCC(=O)O)nc(NNC(=O)c2ccc(Nc3nc(Nc4ccc(C(=O)NNc5nc(NCC(=O)O)nc(NCC(=O)O)n5)cc4)nc(Nc4ccc(C(=O)NNc5nc(NCC(=O)O)nc(NCC(=O)O)n5)cc4)n3)cc2)n1 InChI=1S/C45H45N27O15/c73-25(74)13-46-34-55-35(47-14-26(75)76)59-43(58-34)70-67-31(85)19-1-7-22(8-2-19)52-40-64-41(53-23-9-3-20(4-10-23)32(86)68-71-44-60-36(48-15-27(77)78)56-37(61-44)49-16-28(79)80)66-42(65-40)54-24-11-5-21(6-12-24)33(87)69-72-45-62-38(50-17-29(81)82)57-39(63-45)51-18-30(83)84/h1-12H,13-18H2,(H,67,85)(H,68,86)(H,69,87)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H3,46,47,55,58,59,70)(H3,48,49,56,60,61,71)(H3,50,51,57,62,63,72)(H3,52,53,54,64,65,66) WXMUXNHNFVCNMU-UHFFFAOYSA-N 50648405 CHEMBL5612602 Matrilysin Human 200 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648405 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6149&target=Matrilysin&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648405&enzyme=Matrilysin&column=ki&startPg=0&Increment=50&submit=Search 177379252 519663807 1 MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK 2DDY,2Y6D,1MMR,1MMQ,1MMP,2Y6C Matrilysin MMP7_HUMAN P09237 Q9BTK9 51608470 O=C(O)CNc1nc(NCC(=O)O)nc(NNC(=O)c2ccc(Nc3nc(Nc4ccc(C(=O)NNc5nc(NCC(=O)O)nc(NCC(=O)O)n5)cc4)nc(Nc4ccc(C(=O)NNc5nc(NCC(=O)O)nc(NCC(=O)O)n5)cc4)n3)cc2)n1 InChI=1S/C45H45N27O15/c73-25(74)13-46-34-55-35(47-14-26(75)76)59-43(58-34)70-67-31(85)19-1-7-22(8-2-19)52-40-64-41(53-23-9-3-20(4-10-23)32(86)68-71-44-60-36(48-15-27(77)78)56-37(61-44)49-16-28(79)80)66-42(65-40)54-24-11-5-21(6-12-24)33(87)69-72-45-62-38(50-17-29(81)82)57-39(63-45)51-18-30(83)84/h1-12H,13-18H2,(H,67,85)(H,68,86)(H,69,87)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H3,46,47,55,58,59,70)(H3,48,49,56,60,61,71)(H3,50,51,57,62,63,72)(H3,52,53,54,64,65,66) WXMUXNHNFVCNMU-UHFFFAOYSA-N 50648405 CHEMBL5612602 Matrix metalloproteinase-9 Human 156 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648405 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6143&target=Matrix+metalloproteinase-9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648405&enzyme=Matrix+metalloproteinase-9&column=ki&startPg=0&Increment=50&submit=Search 177379252 519663807 1 MSLWQPLVLVLLVLGCCFAAPRQRQSTLVLFPGDLRTNLTDRQLAEEYLYRYGYTRVAEMRGESKSLGPALLLLQKQLSLPETGELDSATLKAMRTPRCGVPDLGRFQTFEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDELWSLGKGVVVPTRFGNADGAACHFPFIFEGRSYSACTTDGRSDGLPWCSTTANYDTDDRFGFCPSERLYTQDGNADGKPCQFPFIFQGQSYSACTTDGRSDGYRWCATTANYDRDKLFGFCPTRADSTVMGGNSAGELCVFPFTFLGKEYSTCTSEGRGDGRLWCATTSNFDSDKKWGFCPDQGYSLFLVAAHEFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDVNGIRHLYGPRPEPEPRPPTTTTPQPTAPPTVCPTGPPTVHPSERPTAGPTGPPSAGPTGPPTAGPSTATTVPLSPVDDACNVNIFDAIAEIGNQLYLFKDGKYWRFSEGRGSRPQGPFLIADKWPALPRKLDSVFEERLSKKLFFFSGRQVWVYTGASVLGPRRLDKLGLGADVAQVTGALRSGRGKMLLFSGRRLWRFDVKAQMVDPRSASEVDRMFPGVPLDTHDVFQYREKAYFCQDRFYWRVSSRSELNQVDQVGYVTYDILQCPED 1L6J,5CUH,4H3X,4H2E,4JQG,4JIJ Matrix metalloproteinase-9 MMP9_HUMAN P14780 B2R7V9 Q3LR70 Q8N725 Q9H4Z1 Q9UCJ9 Q9UCL1 Q9UDK2 51608471 O=C(O)CNc1nc(NCC(=O)O)nc(NNC(=O)c2ccc(Nc3nc(Nc4ccc(C(=O)NNc5nc(NCC(=O)O)nc(NCC(=O)O)n5)cc4)nc(Nc4ccc(C(=O)NNc5nc(NCC(=O)O)nc(NCC(=O)O)n5)cc4)n3)cc2)n1 InChI=1S/C45H45N27O15/c73-25(74)13-46-34-55-35(47-14-26(75)76)59-43(58-34)70-67-31(85)19-1-7-22(8-2-19)52-40-64-41(53-23-9-3-20(4-10-23)32(86)68-71-44-60-36(48-15-27(77)78)56-37(61-44)49-16-28(79)80)66-42(65-40)54-24-11-5-21(6-12-24)33(87)69-72-45-62-38(50-17-29(81)82)57-39(63-45)51-18-30(83)84/h1-12H,13-18H2,(H,67,85)(H,68,86)(H,69,87)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H3,46,47,55,58,59,70)(H3,48,49,56,60,61,71)(H3,50,51,57,62,63,72)(H3,52,53,54,64,65,66) WXMUXNHNFVCNMU-UHFFFAOYSA-N 50648405 CHEMBL5612602 Stromelysin-2 Human 145 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648405 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6144&target=Stromelysin-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648405&enzyme=Stromelysin-2&column=ki&startPg=0&Increment=50&submit=Search 177379252 519663807 1 MMHLAFLVLLCLPVCSAYPLSGAAKEEDSNKDLAQQYLEKYYNLEKDVKQFRRKDSNLIVKKIQGMQKFLGLEVTGKLDTDTLEVMRKPRCGVPDVGHFSSFPGMPKWRKTHLTYRIVNYTPDLPRDAVDSAIEKALKVWEEVTPLTFSRLYEGEADIMISFAVKEHGDFYSFDGPGHSLAHAYPPGPGLYGDIHFDDDEKWTEDASGTNLFLVAAHELGHSLGLFHSANTEALMYPLYNSFTELAQFRLSQDDVNGIQSLYGPPPASTEEPLVPTKSVPSGSEMPAKCDPALSFDAISTLRGEYLFFKDRYFWRRSHWNPEPEFHLISAFWPSLPSYLDAAYEVNSRDTVFIFKGNEFWAIRGNEVQAGYPRGIHTLGFPPTIRKIDAAVSDKEKKKTYFFAADKYWRFDENSQSMEQGFPRLIADDFPGVEPKVDAVLQAFGFFYFFSGSSQFEFDPNARMVTHILKSNSWLHC 9CSX,4ILW,3V96,6N9D,2USN,1USN Stromelysin-2 MMP10_HUMAN P09238 B2R9X9 Q53HH9 51608472 O=C(O)CNc1nc(NCC(=O)O)nc(NNC(=O)c2ccc(Nc3nc(Nc4ccc(C(=O)NNc5nc(NCC(=O)O)nc(NCC(=O)O)n5)cc4)nc(Nc4ccc(C(=O)NNc5nc(NCC(=O)O)nc(NCC(=O)O)n5)cc4)n3)cc2)n1 InChI=1S/C45H45N27O15/c73-25(74)13-46-34-55-35(47-14-26(75)76)59-43(58-34)70-67-31(85)19-1-7-22(8-2-19)52-40-64-41(53-23-9-3-20(4-10-23)32(86)68-71-44-60-36(48-15-27(77)78)56-37(61-44)49-16-28(79)80)66-42(65-40)54-24-11-5-21(6-12-24)33(87)69-72-45-62-38(50-17-29(81)82)57-39(63-45)51-18-30(83)84/h1-12H,13-18H2,(H,67,85)(H,68,86)(H,69,87)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H3,46,47,55,58,59,70)(H3,48,49,56,60,61,71)(H3,50,51,57,62,63,72)(H3,52,53,54,64,65,66) WXMUXNHNFVCNMU-UHFFFAOYSA-N 50648405 CHEMBL5612602 Collagenase 3 Human 124 ChEMBL 10.7270/Q2ZG6XZ4 39018924 Lim, HY; Dolzhenko, AV //0 10/12/2025 Monash University Malaysia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50648405 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1260&target=Collagenase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50648405&enzyme=Collagenase+3&column=ki&startPg=0&Increment=50&submit=Search 177379252 519663807 1 MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENAASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC 1PEX,4JPA,4JP4,5B5P,5B5O,5UWN,5UWM,5UWL,5UWK,7JU8,5BPA,5BOY,5BOT,4L19,3ZXH,3WV3,3WV2,3WV1,3I7I,3I7G,3ELM,2YIG,1XUR,1XUD,1XUC,1EUB,4A7B,3TVC,830C,6HV2,456C,1YOU,3KEK,3KEJ,3KEC,2D1N,2PJT,2E2D,1ZTQ,1FM1,1FLS,3KRY,3O2X,3LJZ Collagenase 3 MMP13_HUMAN P45452 A8K846 B2RCZ3 Q6NWN6