Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50076155
Substrate
n/a
Meas. Tech.
ChEMBL_106114 (CHEMBL713707)
IC50
47±n/a nM
Citation
 Szardenings, AK; Antonenko, V; Campbell, DA; DeFrancisco, N; Ida, S; Shi, L; Sharkov, N; Tien, D; Wang, Y; Navre, M Identification of highly selective inhibitors of collagenase-1 from combinatorial libraries of diketopiperazines. J Med Chem 42:1348-57 (1999) [PubMed]  Article 
Target
Name:
Interstitial collagenase
Synonyms:
CLG | Fibroblast collagenase | MMP1 | MMP1_HUMAN | Matrix metalloproteinase-1 | Matrix metalloproteinase-1 (MMP-1)
Type:
Enzyme
Mol. Mass.:
54010.26
Organism:
Homo sapiens (Human)
Description:
P03956
Residue:
469
Sequence:
MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
  
Inhibitor
Name:
BDBM50076155
Synonyms:
(3R,6S)-3-Mercaptomethyl-1-(4-methoxy-benzyl)-6-(4-nitro-benzyl)-piperazine-2,5-dione | CHEMBL30134
Type:
Small organic molecule
Emp. Form.:
C20H21N3O5S
Mol. Mass.:
415.463
SMILES:
COc1ccc(CN2[C@@H](Cc3ccc(cc3)[N+]([O-])=O)C(=O)N[C@@H](CS)C2=O)cc1
Structure:
Search PDB for entries with ligand similarity: