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Target
Collagenase 3
Ligand
BDBM50084219
Substrate
n/a
Meas. Tech.
ChEMBL_106475 (CHEMBL873935)
IC50
0.1±n/a nM
Citation
 Cheng, M; De, B; Almstead, NG; Pikul, S; Dowty, ME; Dietsch, CR; Dunaway, CM; Gu, F; Hsieh, LC; Janusz, MJ; Taiwo, YO; Natchus, MG; Hudlicky, T; Mandel, M Design, synthesis, and biological evaluation of matrix metalloproteinase inhibitors derived from a modified proline scaffold. J Med Chem 42:5426-36 (2000) [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:
BDBM50084219
Synonyms:
(R)-4-[(Z)-Benzyloxyimino]-1-(4-butoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide | CHEMBL440178
Type:
Small organic molecule
Emp. Form.:
C22H27N3O6S
Mol. Mass.:
461.531
SMILES:
CCCCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OCc1ccccc1
Structure:
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