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Target
Interstitial collagenase
Ligand
BDBM50388912
Substrate
n/a
Meas. Tech.
ChEMBL_831065 (CHEMBL2065766)
Ki
205000±n/a nM
Citation
 Lee, M; Ikejiri, M; Klimpel, D; Toth, M; Espahbodi, M; Hesek, D; Forbes, C; Kumarasiri, M; Noll, BC; Chang, M; Mobashery, S Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors. ACS Med Chem Lett 3:490-495 (2012) [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:
BDBM50388912
Synonyms:
CHEMBL2063273
Type:
Small organic molecule
Emp. Form.:
C16H16O4S2
Mol. Mass.:
336.426
SMILES:
OCc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Structure:
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