Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50374194
Substrate
n/a
Meas. Tech.
ChEMBL_469149 (CHEMBL929068)
IC50
>1000±n/a nM
Citation
 Zhang, YM; Fan, X; Yang, SM; Scannevin, RH; Burke, SL; Rhodes, KJ; Jackson, PF Syntheses and in vitro evaluation of arylsulfone-based MMP inhibitors with heterocycle-derived zinc-binding groups (ZBGs). Bioorg Med Chem Lett 18:405-8 (2008) [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:
BDBM50374194
Synonyms:
CHEMBL257480
Type:
Small organic molecule
Emp. Form.:
C18H20N2O5S
Mol. Mass.:
376.427
SMILES:
ON1CCCN[C@@H](CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1=O
Structure:
Search PDB for entries with ligand similarity: