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Target
Collagenase 3
Ligand
BDBM50187787
Substrate
n/a
Meas. Tech.
ChEMBL_377988 (CHEMBL867337)
IC50
327±n/a nM
Citation
 Park, K; Aplasca, A; Du, MT; Sun, L; Zhu, Y; Zhang, Y; Levin, JI Design and synthesis of butynyloxyphenyl beta-sulfone piperidine hydroxamates as TACE inhibitors. Bioorg Med Chem Lett 16:3927-31 (2006) [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:
BDBM50187787
Synonyms:
1-(but-2-ynyl)-4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydroxypiperidine-4-carboxamide | CHEMBL209490
Type:
Small organic molecule
Emp. Form.:
C21H26N2O5S
Mol. Mass.:
418.507
SMILES:
CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC#CC)CC1)C(=O)NO
Structure:
Search PDB for entries with ligand similarity: