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Target
Collagenase 3
Ligand
BDBM50103983
Substrate
n/a
Meas. Tech.
ChEMBL_106474 (CHEMBL719144)
IC50
1.6±n/a nM
Citation
 Hanessian, S; Moitessier, N; Gauchet, C; Viau, M N-Aryl sulfonyl homocysteine hydroxamate inhibitors of matrix metalloproteinases: further probing of the S(1), S(1)', and S(2)' pockets. J Med Chem 44:3066-73 (2001) [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:
BDBM50103983
Synonyms:
4-Benzylsulfanyl-N-hydroxy-2-{(4-methoxy-benzenesulfonyl)-[(2,4,6-trimethoxy-benzylcarbamoyl)-methyl]-amino}-butyramide | CHEMBL421029
Type:
Small organic molecule
Emp. Form.:
C30H37N3O9S2
Mol. Mass.:
647.759
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1c(OC)cc(OC)cc1OC)C(CCSCc1ccccc1)C(=O)NO
Structure:
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