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Target
Interstitial collagenase
Ligand
BDBM50076157
Substrate
n/a
Meas. Tech.
ChEMBL_106114 (CHEMBL713707)
IC50
>40000±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:
BDBM50076157
Synonyms:
CHEMBL29986 | N-[4-((2S,5R)-5-Mercaptomethyl-3,6-dioxo-1-propyl-piperazin-2-ylmethyl)-phenyl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C17H23N3O3S
Mol. Mass.:
349.448
SMILES:
CCCN1[C@@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@@H](CS)C1=O
Structure:
Search PDB for entries with ligand similarity: