Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50146638
Substrate
n/a
Meas. Tech.
ChEMBL_105980 (CHEMBL713993)
IC50
90±n/a nM
Citation
 Källblad, P; Todorov, NP; Willems, HM; Alberts, IL Receptor flexibility in the in silico screening of reagents in the S1' pocket of human collagenase. J Med Chem 47:2761-7 (2004) [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:
BDBM50146638
Synonyms:
3-[[4-(4-Fluoro-phenoxy)-benzenesulfonyl]-(1-hydroxycarbamoyl-cyclobutyl)-amino]-propionic acid | CHEMBL450875
Type:
Small organic molecule
Emp. Form.:
C20H21FN2O7S
Mol. Mass.:
452.453
SMILES:
ONC(=O)C1(CCC1)N(CCC(O)=O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Structure:
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