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Target
Collagenase 3
Ligand
BDBM11863
Substrate
MMP-13 Substrate
Meas. Tech.
Determination of MMP-13 Activity
pH
7.5±n/a
Temperature
295.15±n/a K
Ki
0.28±n/a nM
IC50
0.3±n/a nM
Citation
Monovich, LG; Tommasi, RA; Fujimoto, RA; Blancuzzi, V; Clark, K; Cornell, WD; Doti, R; Doughty, J; Fang, J; Farley, D; Fitt, J; Ganu, V; Goldberg, R; Goldstein, R; Lavoie, S; Kulathila, R; Macchia, W; Parker, DT; Melton, R; O'Byrne, E; Pastor, G; Pellas, T; Quadros, E; Reel, N; Roland, DM; Sakane, Y; Singh, H; Skiles, J; Somers, J; Toscano, K; Wigg, A; Zhou, S; Zhu, L; Shieh, WC; Xue, S; McQuire, LW Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13. J Med Chem 52:3523-38 (2009) [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:
BDBM11863
Synonyms:
4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N-hydroxyoxane-4-carboxamide | CHEMBL440498 | RS 130830 | RS-130,830 | alpha-tetrahydropyran beta-sulfone 1B
Type:
Small organic molecule
Emp. Form.:
C19H20ClNO6S
Mol. Mass.:
425.883
SMILES:
ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Substrate
Name:
MMP-13 Substrate
Synonyms:
n/a
Type:
Fluorogenic Substrate
Mol. Mass.:
2571.45
Organism:
n/a
Description:
n/a
Residue:
24
Sequence:
MCAPRLEGLYLEDPAALAARGCNH