Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50146639
Substrate
n/a
Meas. Tech.
ChEMBL_105980 (CHEMBL713993)
IC50
10±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:
BDBM50146639
Synonyms:
1-[4-(2,4-Dimethyl-benzyloxy)-benzenesulfonyl]-3-hydroxy-3-methyl-piperidine-2-carboxylic acid hydroxyamide | CHEMBL96771
Type:
Small organic molecule
Emp. Form.:
C22H28N2O6S
Mol. Mass.:
448.533
SMILES:
Cc1ccc(COc2ccc(cc2)S(=O)(=O)N2CCCC(C)(O)C2C(=O)NO)c(C)c1
Structure:
Search PDB for entries with ligand similarity: