Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50287379
Substrate
n/a
Meas. Tech.
ChEBML_101741
IC50
6.9±n/a nM
Citation
Chen, JJ; Zhang, Y; Hammond, S; Dewdney, N; Ho, T; Lin, X; Browner, MF; Castelhano, AL Design, synthesis, activity, and structure of a novel class of matrix metalloproteinase inhibitors containing a heterocyclic P2′-P3′ amide bond isostere Bioorg Med Chem Lett 6:1601-1606 (1996) Article
More Info.:
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:
BDBM50287379
Synonyms:
4-[(S)-2-((R)-2-Hydroxycarbamoylmethyl-4-methyl-pentanoylamino)-4-methyl-pentanoylamino]-benzoic acid methyl ester | CHEMBL288896 | RS-39066
Type:
Small organic molecule
Emp. Form.:
C22H33N3O6
Mol. Mass.:
435.5139
SMILES:
COC(=O)c1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO)cc1