Reaction Details Report a problem with these data
Target
Type-1 angiotensin II receptor
Ligand
BDBM50035451
Substrate
n/a
Meas. Tech.
ChEMBL_36630 (CHEMBL652869)
IC50
0.450000±n/a nM
Citation
 Ashton, WT; Chang, LL; Flanagan, KL; Hutchins, SM; Naylor, EM; Chakravarty, PK; Patchett, AA; Greenlee, WJ; Chen, TB; Faust, KA Triazolinone biphenylsulfonamide derivatives as orally active angiotensin II antagonists with potent AT1 receptor affinity and enhanced AT2 affinity. J Med Chem 37:2808-24 (1994) [PubMed]  Article 
Target
Name:
Type-1 angiotensin II receptor
Synonyms:
AGTR1 | AGTR1_RABIT | ANGIOTENSIN AT1 | Angiotensin II receptor | Angiotensin II type 1a (AT-1a) receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
41009.15
Organism:
RABBIT
Description:
ANGIOTENSIN AT1 AGTR1 RABBIT::P34976
Residue:
359
Sequence:
MMLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLAVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSSKKPVPCFEVE
  
Inhibitor
Name:
BDBM50035451
Synonyms:
2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,5-dihydro-1H-1,2,4-triazol-4-ylmethyl]phenyl}-1-(N-t-butoxycarbonyl)benzenesulfonamide | 4'-[3-Butyl-5-oxo-1-(2-trifluoromet hyl-phenyl)-15-dihydro-[124]tria zol-4-ylmethyl]-biphenyl-2-sulfonic acid t-butyloxycarbonylamide (L-162234) | 4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid (2-tert-butoxycarbonyl)amide | 4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid amide-N-carbonyoxylterbutyl | 5-n-Butyl-4-[[2'-[N-(tert-butoxycarbonyl)sulfamoyl]biphenyl-4yl]methyl]-2-[2-trifluoromethyl-phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one | CHEMBL292150 | L-162234
Type:
Small organic molecule
Emp. Form.:
C31H33F3N4O5S
Mol. Mass.:
630.678
SMILES:
CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Structure:
Search PDB for entries with ligand similarity: