Target
Collagenase 3
Ligand
BDBM50128657
Substrate
n/a
Meas. Tech.
ChEMBL_106632 (CHEMBL717016)
IC50
2±n/a nM
Citation
 Aranapakam, VDavis, JMGrosu, GTBaker, JEllingboe, JZask, ALevin, JISandanayaka, VPDu, MSkotnicki, JSDiJoseph, JFSung, ASharr, MAKillar, LMWalter, TJin, GCowling, RTillett, JZhao, WMcDevitt, JXu, ZB Synthesis and structure-activity relationship of N-substituted 4-arylsulfonylpiperidine-4-hydroxamic acids as novel, orally active matrix metalloproteinase inhibitors for the treatment of osteoarthritis. J Med Chem 46:2376-96 (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:
BDBM50128657
Synonyms:
1-(3-methoxybenzyl)-N-hydroxy-4-(4-methoxyphenylsulfonyl)piperidine-4-carboxamide | 4-(4-Methoxy-benzenesulfonyl)-1-(3-methoxy-benzyl)-piperidine-4-carboxylic acid hydroxyamide | CHEMBL276119
Type:
Small organic molecule
Emp. Form.:
C21H26N2O6S
Mol. Mass.:
434.506
SMILES:
COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2cccc(OC)c2)CC1)C(=O)NO
Structure:
Search PDB for entries with ligand similarity: