Target
Collagenase 3
Ligand
BDBM30394
Substrate
MMP-13 Substrate
Meas. Tech.
Determination of MMP-13 Activity
Temperature
298.15±n/a K
IC50
1.4±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:
BDBM30394
Synonyms:
piperidinyl glycine derivative, 27a
Type:
Small organic molecule
Emp. Form.:
C25H28N2O7S3
Mol. Mass.:
564.694
SMILES:
COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)c1ccc(C)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