BDBM420296 Advanced SARS-CoV-2 Inhibitor 11a::MPI10::acs.jmedchem.1c00409_ST.40::med.21724, Compound 61::peptidomimetic aldehydes 11a::peptidomimetic coronavirus 3CLpro inhibitors 11a

SMILES O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1

InChI Key InChIKey=HPKJGHVHQWJOOT-ZJOUEHCJSA-N

Data  1 KI  15 IC50  5 EC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 420296   

TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
Affinity DataIC50:  14nMAssay Description:SARS-CoV-2 3CLpro expression and purification is based on a published procedure and our modified protocol is found in the supplementary file. A highl...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
Affinity DataIC50:  53nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM420296(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)
Affinity DataIC50:  31nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
Ligand InfoPurchasePDB