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Target
Collagenase 3
Ligand
BDBM50132638
Substrate
n/a
Meas. Tech.
ChEBML_106625
IC50
4±n/a nM
Citation
 Letavic, MA; Barberia, JT; Carty, TJ; Hardink, JR; Liras, J; Lopresti-Morrow, LL; Mitchell, PG; Noe, MC; Reeves, LM; Snow, SL; Stam, EJ; Sweeney, FJ; Vaughn, ML; Yu, CH Synthesis and biological activity of piperazine-based dual MMP-13 and TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett 13:3243-6 (2003) [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:
BDBM50132638
Synonyms:
(2S,3R)-2-Methyl-4-[4-(2-methyl-benzyloxy)-benzenesulfonyl]-piperazine-1,3-dicarboxylic acid 3-hydroxyamide 1-isopropylamide | CHEMBL111068
Type:
Small organic molecule
Emp. Form.:
C24H32N4O6S
Mol. Mass.:
504.599
SMILES:
CC(C)NC(=O)N1CCN([C@H]([C@@H]1C)C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2C)cc1
Structure:
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