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Target
Collagenase 3
Ligand
BDBM50084744
Substrate
n/a
Meas. Tech.
ChEMBL_106473 (CHEMBL719143)
IC50
1.3±n/a nM
Citation
 Cheng, M; De, B; Pikul, S; Almstead, NG; Natchus, MG; Anastasio, MV; McPhail, SJ; Snider, CE; Taiwo, YO; Chen, L; Dunaway, CM; Gu, F; Dowty, ME; Mieling, GE; Janusz, MJ; Wang-Weigand, S Design and synthesis of piperazine-based matrix metalloproteinase inhibitors. J Med Chem 43:369-80 (2000) [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:
BDBM50084744
Synonyms:
3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-piperazine-1-carboxylic acid benzyl ester | CHEMBL332134
Type:
Small organic molecule
Emp. Form.:
C20H23N3O7S
Mol. Mass.:
449.478
SMILES:
COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)OCc1ccccc1
Structure:
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