Target
Collagenase 3
Ligand
BDBM30378
Substrate
MMP-13 Substrate
Meas. Tech.
Determination of MMP-13 Activity
Temperature
298.15±n/a K
IC50
0.8±n/a nM
Comments
extracted
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:
BDBM30378
Synonyms:
piperidinyl glycine derivative, 24o
Type:
Small organic molecule
Emp. Form.:
C24H32N2O7S2
Mol. Mass.:
524.65
SMILES:
CCCCOC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)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