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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

NameCHEMBL303170
Molecular formulaC25H22N6O3
IUPAC name2-(2-methoxyethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
Molecular weight454.49
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.5
Synonyms2-(2-Methoxy-ethyl)-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid
BDBM50044384
3-[[2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-2-(2-methoxyethyl)-3H-benzimidazole-4-carboxylic acid
Inchi KeyCQVYWHLMVCYJCP-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22N6O3/c1-34-14-13-22-26-21-8-4-7-20(25(32)33)23(21)31(22)15-16-9-11-17(12-10-16)18-5-2-3-6-19(18)24-27-29-30-28-24/h2-12H,13-15H2,1H3,(H,32,33)(H,27,28,29,30)
PubChem CID15654752
ChEMBLCHEMBL303170
IUPHARN/A
BindingDB50044384
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50580.0 nMPMID8340921BindingDB,ChEMBL

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