Reaction Details
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Collagenase 3
Ligand
BDBM30385
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, 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 More Info.:
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:
BDBM30385
Synonyms:
piperidinyl glycine derivative, 25a
Type:
Small organic molecule
Emp. Form.:
C23H31N3O6S2
Mol. Mass.:
509.639
SMILES:
COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)NC(C)(C)C)C(O)=O |r|
Structure:
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