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Target
Collagenase 3
Ligand
BDBM50337722
Substrate
n/a
Meas. Tech.
ChEMBL_728836 (CHEMBL1686371)
IC50
4600±n/a nM
Citation
 De Savi, C; Pape, A; Cumming, JG; Ting, A; Smith, PD; Burrows, JN; Mills, M; Davies, C; Lamont, S; Milne, D; Cook, C; Moore, P; Sawyer, Y; Gerhardt, S The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis. Bioorg Med Chem Lett 21:1376-81 (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:
BDBM50337722
Synonyms:
CHEMBL1683460 | N-((2S,4S)-1-(4-(2-(3,5-dimethylisothiazol-4-yl)ethyl)piperidin-1-ylsulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl)-N-hydroxyformamide
Type:
Small organic molecule
Emp. Form.:
C23H34FN5O4S2
Mol. Mass.:
527.676
SMILES:
C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2c(C)nsc2C)CC1)N(O)C=O)c1ncc(F)cn1 |r|
Structure:
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