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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

NameCHEMBL71410
Molecular formulaC24H21N7O2
IUPAC name2-(ethylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
Molecular weight439.479
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.1
Synonyms2-Ethylamino-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid
BDBM50044414
L006266
3-[[2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-2-(ethylamino)-3H-benzimidazole-4-carboxylic acid
SCHEMBL3975106
Inchi KeyAPMNCEGMCPPDAT-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H21N7O2/c1-2-25-24-26-20-9-5-8-19(23(32)33)21(20)31(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-29-30-28-22/h3-13H,2,14H2,1H3,(H,25,26)(H,32,33)(H,27,28,29,30)
PubChem CID15654703
ChEMBLCHEMBL71410
IUPHARN/A
BindingDB50044414
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5062.0 nMPMID8340921BindingDB,ChEMBL

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