Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50357026
Substrate
n/a
Meas. Tech.
ChEMBL_788431 (CHEMBL1918196)
IC50
2.2±n/a nM
Citation
 Tommasi, RA; Weiler, S; McQuire, LW; Rogel, O; Chambers, M; Clark, K; Doughty, J; Fang, J; Ganu, V; Grob, J; Goldberg, R; Goldstein, R; Lavoie, S; Kulathila, R; Macchia, W; Melton, R; Springer, C; Walker, M; Zhang, J; Zhu, L; Shultz, M Potent and selective 2-naphthylsulfonamide substituted hydroxamic acid inhibitors of matrix metalloproteinase-13. Bioorg Med Chem Lett 21:6440-5 (2011) [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:
BDBM50357026
Synonyms:
CHEMBL1916650
Type:
Small organic molecule
Emp. Form.:
C21H23N3O4S
Mol. Mass.:
413.49
SMILES:
CC(C)[C@@H](N(Cc1ccccn1)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r|
Structure:
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