Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50098918
Substrate
n/a
Meas. Tech.
ChEBML_106619
IC50
2.6±n/a nM
Citation
 Pikul, S; Dunham, KM; Almstead, NG; De, B; Natchus, MG; Taiwo, YO; Williams, LE; Hynd, BA; Hsieh, LC; Janusz, MJ; Gu, F; Mieling, GE Heterocycle-based MMP inhibitors with P2' substituents. Bioorg Med Chem Lett 11:1009-13 (2001) [PubMed]  Article 
Target
Name:
Collagenase 3
Synonyms:
Collagenase 3 | MMP-13 | MMP13_RAT | Matrix metalloproteinase 13 | Matrix metalloproteinase-13 | Mmp13 | UMRCASE
Type:
PROTEIN
Mol. Mass.:
53359.23
Organism:
Rattus norvegicus
Description:
ChEMBL_424298
Residue:
466
Sequence:
ATFFLLSWTHCWSLPLPYGDDDDDDLSEEDLEFAEHYLKSYYHPVTLAGILKKSTVTSTVDRLREMQSFFGLDVTGKLDDPTLDIMRKPRCGVPDVGVYNVFPRTLKWSQTNLTYRIVNYTPDISHSEVEKAFRKAFKVWSDVTPLNFTRIHDGTADIMISFGTKEHGDFYPFDGPSGLLAHAFPPGPNLGGDAHFDDDETWTSSSKGYNLFIVAAHELGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPEKCDPALSLDAITSLRGETMIFKDRFFWRLHPQQVEPELFLTKSFWPELPNHVDAAYEHPSRDLMFIFRGRKFWALNGYDIMEGYPRKISDLGFPKEVKRLSAAVHFEDTGKTLFFSGNHVWSYDDANQTMDKDYPRLIEEEFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPTNSLLWC
  
Inhibitor
Name:
BDBM50098918
Synonyms:
(R)-1-Benzyl-3-(4-methoxy-benzenesulfonyl)-6-oxo-hexahydro-pyrimidine-4-carboxylic acid hydroxyamide | 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE | CHEMBL7390
Type:
Small organic molecule
Emp. Form.:
C19H21N3O6S
Mol. Mass.:
419.452
SMILES:
COc1ccc(cc1)S(=O)(=O)N1CN(Cc2ccccc2)C(=O)C[C@@H]1C(=O)NO
Structure:
Search PDB for entries with ligand similarity: