Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50386894
Substrate
n/a
Meas. Tech.
ChEMBL_827433 (CHEMBL2051212)
IC50
8230±n/a nM
Citation
 Wang, L; Li, X; Zhang, S; Lu, W; Liao, S; Liu, X; Shan, L; Shen, X; Jiang, H; Zhang, W; Huang, J; Li, H Natural products as a gold mine for selective matrix metalloproteinases inhibitors. Bioorg Med Chem 20:4164-71 (2012) [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:
BDBM50386894
Synonyms:
CHEMBL2048505
Type:
Small organic molecule
Emp. Form.:
C29H26O12
Mol. Mass.:
566.5095
SMILES:
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(=O)OC)c12)c1ccc(O)c(O)c1 |r|
Structure:
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