Target
Interstitial collagenase
Ligand
BDBM50076159
Substrate
n/a
Meas. Tech.
ChEMBL_106114 (CHEMBL713707)
IC50
41±n/a nM
Citation
 Szardenings, AKAntonenko, VCampbell, DADeFrancisco, NIda, SShi, LSharkov, NTien, DWang, YNavre, 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:
BDBM50076159
Synonyms:
2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,6-dioxopiperazin-1-yl)-N-tert-butyl-2-(4-ethylphenyl)acetamide | CHEMBL29801 | N-tert-Butyl-2-(4-ethyl-phenyl)-2-[(3R,6S)-3-mercaptomethyl-6-(4-nitro-benzyl)-2,5-dioxo-piperazin-1-yl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C26H32N4O5S
Mol. Mass.:
512.621
SMILES:
CCc1ccc(cc1)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)C(=O)NC(C)(C)C
Structure:
Search PDB for entries with ligand similarity: