Reaction Details
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Collagenase 3
Ligand
BDBM50365344
Substrate
n/a
Meas. Tech.
ChEMBL_806646 (CHEMBL1960129)
Ki
7730±n/a nM
Citation
Brown, MF; Reilly, U; Abramite, JA; Arcari, JT; Oliver, R; Barham, RA; Che, Y; Chen, JM; Collantes, EM; Chung, SW; Desbonnet, C; Doty, J; Doroski, M; Engtrakul, JJ; Harris, TM; Huband, M; Knafels, JD; Leach, KL; Liu, S; Marfat, A; Marra, A; McElroy, E; Melnick, M; Menard, CA; Montgomery, JI; Mullins, L; Noe, MC; O'Donnell, J; Penzien, J; Plummer, MS; Price, LM; Shanmugasundaram, V; Thoma, C; Uccello, DP; Warmus, JS; Wishka, DG Potent inhibitors of LpxC for the treatment of Gram-negative infections. J Med Chem 55:914-23 (2012) [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:
BDBM50365344
Synonyms:
CHEMBL1956115
Type:
Small organic molecule
Emp. Form.:
C18H21NO4S
Mol. Mass.:
347.429
SMILES:
C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Structure:
