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Target
Interstitial collagenase
Ligand
BDBM50146628
Substrate
n/a
Meas. Tech.
ChEMBL_105980 (CHEMBL713993)
IC50
121±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:
BDBM50146628
Synonyms:
2-(4-But-2-ynyloxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid hydroxyamide | CHEMBL330067
Type:
Small organic molecule
Emp. Form.:
C20H20N2O5S
Mol. Mass.:
400.448
SMILES:
CC#CCOc1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1C(=O)NO
Structure:
Search PDB for entries with ligand similarity: