Target
Collagenase 3
Ligand
BDBM30368
Substrate
MMP-13 Substrate
Meas. Tech.
Determination of MMP-13 Activity
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
2.2±n/a nM
Citation
 Monovich, LGTommasi, RAFujimoto, RABlancuzzi, VClark, KCornell, WDDoti, RDoughty, JFang, JFarley, DFitt, JGanu, VGoldberg, RGoldstein, RLavoie, SKulathila, RMacchia, WParker, DTMelton, RO'Byrne, EPastor, GPellas, TQuadros, EReel, NRoland, DMSakane, YSingh, HSkiles, JSomers, JToscano, KWigg, AZhou, SZhu, LShieh, WCXue, SMcQuire, 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:
BDBM30368
Synonyms:
piperidinyl glycine derivative, 24e
Type:
Small organic molecule
Emp. Form.:
C22H25F3N2O7S2
Mol. Mass.:
550.568
SMILES:
CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OC(F)(F)F)cc1)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity:
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