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Target
Interstitial collagenase
Ligand
BDBM50082541
Substrate
n/a
Meas. Tech.
ChEMBL_105952 (CHEMBL715366)
IC50
0.70±n/a nM
Citation
 Almstead, NG; Bradley, RS; Pikul, S; De, B; Natchus, MG; Taiwo, YO; Gu, F; Williams, LE; Hynd, BA; Janusz, MJ; Dunaway, CM; Mieling, GE Design, synthesis, and biological evaluation of potent thiazine- and thiazepine-based matrix metalloproteinase inhibitors. J Med Chem 42:4547-62 (1999) [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:
BDBM50082541
Synonyms:
(S)-4-(4-Bromo-benzenesulfonyl)-2,2-dimethyl-[1,4]thiazepane-3-carboxylic acid hydroxyamide | (S)-4-(4-bromophenylsulfonyl)-N-hydroxy-2,2-dimethyl-1,4-thiazepane-3-carboxamide | CHEMBL140511
Type:
Small organic molecule
Emp. Form.:
C14H19BrN2O4S2
Mol. Mass.:
423.346
SMILES:
CC1(C)SCCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Br)cc1
Structure:
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