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Target
Collagenase 3
Ligand
BDBM50167621
Substrate
n/a
Meas. Tech.
ChEMBL_304865 (CHEMBL829242)
IC50
2.8±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:
BDBM50167621
Synonyms:
(2R,5R)-5-Hydroxy-3,3-dimethyl-1-[4-(3-methyl-benzyloxy)-benzenesulfonyl]-piperidine-2-carboxylic acid hydroxyamide | CHEMBL192773
Type:
Small organic molecule
Emp. Form.:
C22H28N2O6S
Mol. Mass.:
448.533
SMILES:
Cc1cccc(COc2ccc(cc2)S(=O)(=O)N2C[C@H](O)CC(C)(C)[C@@H]2C(=O)NO)c1
Structure:
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