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Target
Collagenase 3
Ligand
BDBM50082548
Substrate
n/a
Meas. Tech.
ChEMBL_106469 (CHEMBL877754)
IC50
1±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:
Collagenase 3
Synonyms:
MMP-13 | MMP13 | MMP13_HUMAN | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13)
Type:
Enzyme
Mol. Mass.:
53808.06
Organism:
Homo sapiens (Human)
Description:
P45452
Residue:
471
Sequence:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENAASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
  
Inhibitor
Name:
BDBM50082548
Synonyms:
(S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,4]thiazonane-3-carboxylic acid hydroxyamide | CHEMBL441662
Type:
Small organic molecule
Emp. Form.:
C17H26N2O5S2
Mol. Mass.:
402.529
SMILES:
COc1ccc(cc1)S(=O)(=O)N1CCCCCSC(C)(C)[C@@H]1C(=O)NO
Structure:
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