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Target
Interstitial collagenase
Ligand
BDBM50175529
Substrate
n/a
Meas. Tech.
ChEMBL_320812 (CHEMBL872347)
Ki
8.2±n/a nM
Citation
 Alberts, IL; Todorov, NP; Dean, PM Receptor flexibility in de novo ligand design and docking. J Med Chem 48:6585-96 (2005) [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:
BDBM50175529
Synonyms:
CHEMBL383560 | N-Hydroxy-3-[4-(pyridin-4-yloxy)-benzenesulfonyl]-propionamide
Type:
Small organic molecule
Emp. Form.:
C14H14N2O5S
Mol. Mass.:
322.336
SMILES:
ONC(=O)CCS(=O)(=O)c1ccc(Oc2ccncc2)cc1
Structure:
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