Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50105453
Substrate
n/a
Meas. Tech.
ChEBML_106599
IC50
1.1±n/a nM
Citation
 Becker, DP; DeCrescenzo, G; Freskos, J; Getman, DP; Hockerman, SL; Li, M; Mehta, P; Munie, GE; Swearingen, C alpha-Alkyl-alpha-amino-beta-sulphone hydroxamates as potent MMP inhibitors that spare MMP-1. Bioorg Med Chem Lett 11:2723-5 (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:
BDBM50105453
Synonyms:
2-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-N-hydroxy-2-methyl-3-(4-phenoxy-benzenesulfonyl)-propionamide | CHEMBL92923
Type:
Small organic molecule
Emp. Form.:
C24H24N2O7S
Mol. Mass.:
484.522
SMILES:
CC(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(NCc1ccc2OCOc2c1)C(=O)NO
Structure:
Search PDB for entries with ligand similarity: