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Target
Collagenase 3
Ligand
BDBM50493278
Substrate
n/a
Meas. Tech.
ChEMBL_983461 (CHEMBL2429271)
IC50
0.050000±n/a nM
Citation
 Hugenberg, V; Riemann, B; Hermann, S; Schober, O; Schäfers, M; Szardenings, K; Lebedev, A; Gangadharmath, U; Kolb, H; Walsh, J; Zhang, W; Kopka, K; Wagner, S Inverse 1,2,3-triazole-1-yl-ethyl substituted hydroxamates as highly potent matrix metalloproteinase inhibitors: (radio)synthesis, in vitro and first in vivo evaluation. J Med Chem 56:6858-70 (2013) [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:
BDBM50493278
Synonyms:
CHEMBL2425947
Type:
Small organic molecule
Emp. Form.:
C19H28FN5O5S
Mol. Mass.:
457.52
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CCn1cc(CCCF)nn1)[C@H](C(C)C)C(=O)NO |r|
Structure:
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