Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50286335
Substrate
n/a
Meas. Tech.
ChEBML_49511
Ki
1±n/a nM
Citation
 Singh, J; Conzentino, P; Cundy, K; Gainor, JA; Gilliam, CL; Gordon, TD; Johnson, JA; Morgan, BA; Schneider, ED; Wahl, RC; Whipple, DA Relationship between structure and bioavailability in a series of hydroxamate based metalloprotease inhibitors Bioorg Med Chem Lett 5:337-342 (1995)    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:
BDBM50286335
Synonyms:
(R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(3-methylsulfanyl-propylcarbamoyl)-ethyl]-2-isobutyl-succinamide | CHEMBL114458
Type:
Small organic molecule
Emp. Form.:
C23H34N4O4S
Mol. Mass.:
462.605
SMILES:
CSCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Structure:
Search PDB for entries with ligand similarity: