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Target
Collagenase 3
Ligand
BDBM50216802
Substrate
n/a
Meas. Tech.
ChEMBL_440142 (CHEMBL890453)
IC50
>100000±n/a nM
Citation
 Fish, PV; Allan, GA; Bailey, S; Blagg, J; Butt, R; Collis, MG; Greiling, D; James, K; Kendall, J; McElroy, A; McCleverty, D; Reed, C; Webster, R; Whitlock, GA Potent and selective nonpeptidic inhibitors of procollagen C-proteinase. J Med Chem 50:3442-56 (2007) [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:
BDBM50216802
Synonyms:
(3R)-6-cyclohexyl-N-hydroxy-3-(3-{[(methylsulfonyl)amino]-methyl}-1,2,4-oxadiazol-5-yl)hexanamide | (R)-6-cyclohexyl-N-hydroxy-3-(3-(methylsulfonamidomethyl)-1,2,4-oxadiazol-5-yl)hexanamide | CHEMBL389020
Type:
Small organic molecule
Emp. Form.:
C16H28N4O5S
Mol. Mass.:
388.482
SMILES:
CS(=O)(=O)NCc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO |r|
Structure:
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