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Target
Collagenase 3
Ligand
BDBM50128638
Substrate
n/a
Meas. Tech.
ChEMBL_106632 (CHEMBL717016)
IC50
2±n/a nM
Citation
 Aranapakam, V; Davis, JM; Grosu, GT; Baker, J; Ellingboe, J; Zask, A; Levin, JI; Sandanayaka, VP; Du, M; Skotnicki, JS; DiJoseph, JF; Sung, A; Sharr, MA; Killar, LM; Walter, T; Jin, G; Cowling, R; Tillett, J; Zhao, W; McDevitt, J; Xu, 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:
BDBM50128638
Synonyms:
1-(4-methoxyphenethyl)-N-hydroxy-4-(4-methoxyphenylsulfonyl)piperidine-4-carboxamide | 4-(4-Methoxy-benzenesulfonyl)-1-[2-(4-methoxy-phenyl)-ethyl]-piperidine-4-carboxylic acid hydroxyamide | CHEMBL80814
Type:
Small organic molecule
Emp. Form.:
C22H28N2O6S
Mol. Mass.:
448.533
SMILES:
COc1ccc(CCN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: