Reaction Details Report a problem with these data
Target
Transcriptional activator protein LasR
Ligand
BDBM7960
Substrate
n/a
Meas. Tech.
ChEMBL_2197926 (CHEMBL5110442)
IC50
398800±n/a nM
Citation
 Abd El-Aleam, RH; Sayed, AM; Taha, MN; George, RF; Georgey, HH; Abdel-Rahman, HM Design and synthesis of novel benzimidazole derivatives as potential Pseudomonas aeruginosa anti-biofilm agents inhibiting LasR: Evidence from comprehensive molecular dynamics simulation and in vitro investigation. Eur J Med Chem 241:0 (2022) [PubMed] 
Target
Name:
Transcriptional activator protein LasR
Synonyms:
LASR_PSEAE | lasR
Type:
PROTEIN
Mol. Mass.:
26618.24
Organism:
Pseudomonas aeruginosa
Description:
ChEMBL_1475312
Residue:
239
Sequence:
MALVDGFLELERSSGKLEWSAILQKMASDLGFSKILFGLLPKDSQDYENAFIVGNYPAAWREHYDRAGYARVDPTVSHCTQSVLPIFWEPSIYQTRKQHEFFEEASAAGLVYGLTMPLHGARGELGALSLSVEAENRAEANRFMESVLPTLWMLKDYALQSGAGLAFEHPVSKPVVLTSREKEVLQWCAIGKTSWEISVICNCSEANVNFHMGNIRRKFGVTSRRVAAIMAVNLGLITL
  
Inhibitor
Name:
BDBM7960
Synonyms:
1H-1,3-benzodiazol-2-amine | 2-Aminobenzimidazole | CHEMBL305513 | CRA Fragment 9 | Imidazole C-2 deriv. 3 | JMC524454 Compound 5 | US11584714, Compound 46
Type:
Small organic molecule
Emp. Form.:
C7H7N3
Mol. Mass.:
133.1506
SMILES:
Nc1nc2ccccc2[nH]1
Structure:
Search PDB for entries with ligand similarity: