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Target
Collagenase 3
Ligand
BDBM50167609
Substrate
n/a
Meas. Tech.
ChEMBL_304865 (CHEMBL829242)
IC50
3±n/a nM
Citation
 Noe, MC; Natarajan, V; Snow, SL; Mitchell, PG; Lopresti-Morrow, L; Reeves, LM; Yocum, SA; Carty, TJ; Barberia, JA; Sweeney, FJ; Liras, JL; Vaughn, M; Hardink, JR; Hawkins, JM; Tokar, C Discovery of 3,3-dimethyl-5-hydroxypipecolic hydroxamate-based inhibitors of aggrecanase and MMP-13. Bioorg Med Chem Lett 15:2808-11 (2005) [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:
BDBM50167609
Synonyms:
(2R,5R)-1-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-5-hydroxy-3,3-dimethyl-piperidine-2-carboxylic acid hydroxyamide | CHEMBL179552
Type:
Small organic molecule
Emp. Form.:
C21H24Cl2N2O6S
Mol. Mass.:
503.396
SMILES:
CC1(C)C[C@@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Structure:
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