Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50128614
Substrate
n/a
Meas. Tech.
ChEMBL_106627 (CHEMBL717011)
IC50
2±n/a nM
Citation
Aranapakam, V; Grosu, GT; Davis, JM; Hu, B; Ellingboe, J; Baker, JL; Skotnicki, JS; Zask, A; DiJoseph, JF; Sung, A; Sharr, MA; Killar, LM; Walter, T; Jin, G; Cowling, R Synthesis and structure-activity relationship of alpha-sulfonylhydroxamic acids as novel, orally active matrix metalloproteinase inhibitors for the treatment of osteoarthritis. J Med Chem 46:2361-75 (2003) [PubMed] Article
More Info.:
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:
Human
Description:
P45452
Residue:
471
Sequence:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENAASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
Inhibitor
Name:
BDBM50128614
Synonyms:
(R)-2-(4-butoxyphenylsulfonyl)-N-hydroxy-2-methyl-3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)propanamide | 2-(4-Butoxy-benzenesulfonyl)-N-hydroxy-2-methyl-3-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-propionamide | CHEMBL306723
Type:
Small organic molecule
Emp. Form.:
C27H38N2O6S
Mol. Mass.:
518.665
SMILES:
CCCCOc1ccc(cc1)S(=O)(=O)C(C)(Cc1ccc(OCCN2CCCCC2)cc1)C(=O)NO