Reaction Details Report a problem with these data
Target
Metallo-beta-lactamase type 2
Ligand
BDBM50042569
Substrate
n/a
Meas. Tech.
ChEBML_104647
IC50
80000±n/a nM
Citation
 Toney, JH; Cleary, KA; Hammond, GG; Yuan, X; May, WJ; Hutchins, SM; Ashton, WT; Vanderwall, DE Structure-activity relationships of biphenyl tetrazoles as metallo-beta-lactamase inhibitors. Bioorg Med Chem Lett 9:2741-6 (1999) [PubMed]  Article 
Target
Name:
Metallo-beta-lactamase type 2
Synonyms:
BLAB_BACFG | Beta-lactamase type II | ccrA | cfiA
Type:
PROTEIN
Mol. Mass.:
27252.87
Organism:
Bacteroides fragilis
Description:
ChEMBL_1502123
Residue:
249
Sequence:
MKTVFILISMLFPVAVMAQKSVKISDDISITQLSDKVYTYVSLAEIEGWGMVPSNGMIVINNHQAALLDTPINDAQTEMLVNWVTDSLHAKVTTFIPNHWHGDCIGGLGYLQRKGVQSYANQMTIDLAKEKGLPVPEHGFTDSLTVSLDGMPLQCYYLGGGHATDNIVVWLPTENILFGGCMLKDNQATSIGNISDADVTAWPKTLDKVKAKFPSARYVVPGHGDYGGTELIEHTKQIVNQYIESTSKP
  
Inhibitor
Name:
BDBM50042569
Synonyms:
5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2-o-tolyl-2H-pyrazole-3-carboxylic acid | CHEMBL90011
Type:
Small organic molecule
Emp. Form.:
C29H28N6O2
Mol. Mass.:
492.5716
SMILES:
CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C
Structure:
Search PDB for entries with ligand similarity: