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Target
Collagenase 3
Ligand
BDBM30344
Substrate
MMP-13 Substrate
Meas. Tech.
Determination of MMP-13 Activity
pH
7.5±n/a
Temperature
295.15±n/a K
Ki
0.53±n/a nM
IC50
3.5±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:
BDBM30344
Synonyms:
Cipemastat | Trocade
Type:
Small organic molecule
Emp. Form.:
C22H36N4O5
Mol. Mass.:
436.545
SMILES:
CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |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