Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50042535
Substrate
n/a
Meas. Tech.
ChEBML_104648
IC50
>200000±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:
Beta-lactamase
Synonyms:
Beta-lactamase | metallo-beta-lactamase IMP-1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
27125.88
Organism:
Pseudomonas aeruginosa
Description:
gi_27368096
Residue:
246
Sequence:
MSKLSVFFIFLFCSIATAAESLPDLKIEKLDEGVYVHTSFEEVNGWGVVPKHGLVVLVNAEAYLIDTPFTAKDTEKLVTWFVERGYKIKGSISSHFHSDSTGGIEWLNSRSIPTYASELTNELLKKDGKVQATNSFSGVNYWLVKNKIEVFYPGPGHTPDNVVVWLPERKILFGGCFIKPYGLGNLGDANIEAWPKSAKLLKSKYGKAKLVVPSHSEVGDASLLKLTLEQAVKGLNESKKPSKPSN
  
Inhibitor
Name:
BDBM50042535
Synonyms:
5-Butyl-2-(3-chloro-phenyl)-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2H-pyrazole-3-carboxylic acid | CHEMBL330571
Type:
Small organic molecule
Emp. Form.:
C28H25ClN6O2
Mol. Mass.:
512.99
SMILES:
CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1
Structure:
Search PDB for entries with ligand similarity: