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GPCR

NameType-1 angiotensin II receptor
SpeciesBos taurus (Bovine)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMILNSSTEDGIKRIQDDCPKAGRHNYIFIMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPTIIHRNVFFIENTNITVCAFHYESQNSTLPVGLGLTKNILGFLFPFLIILTSYTLIWKTLKKAYEIQKNKPRKDDIFKIILAIVLFFFFSWVPHQIFTFMDVLIQLGLIRDCKIEDIVDTAMPITICLAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSENGNSSTKKPAPCIEVE
UniProtP25104
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3374
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL69221
Molecular formulaC25H19F3N6O3
IUPAC namemethyl 3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)benzimidazole-4-carboxylate
Molecular weight508.461
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP5.1
Synonyms3-[[2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)-3H-benzimidazole-4-carboxylic acid methyl ester
3-[2''-(1H-Tetrazol-5-yl)-biphenyl-4-ylmethyl]-2-(2,2,2-trifluoro-ethoxy)-3H-benzoimidazole-4-carboxylic acid methyl ester
BDBM50044398
SCHEMBL3975946
Inchi KeyBSQODZCCWHMNPZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H19F3N6O3/c1-36-23(35)19-7-4-8-20-21(19)34(24(29-20)37-14-25(26,27)28)13-15-9-11-16(12-10-15)17-5-2-3-6-18(17)22-30-32-33-31-22/h2-12H,13-14H2,1H3,(H,30,31,32,33)
PubChem CID15654734
ChEMBLCHEMBL69221
IUPHARN/A
BindingDB50044398
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50<1000.0 nMPMID8340921BindingDB,ChEMBL

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