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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

NameCHEMBL299340
Molecular formulaC27H26N6O2
IUPAC name2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
Molecular weight466.545
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.5
Synonyms2-Butyl-6-methyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid
ASTUBQXUYGZCJD-UHFFFAOYSA-N
SCHEMBL9197604
1-[[2'-(1H-Tetrazol-5-yl)biphenyl-4-yl]methyl]-2-butyl-6-methyl-1H-benzimidazole-7-carboxylic acid
Inchi KeyASTUBQXUYGZCJD-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26N6O2/c1-3-4-9-23-28-22-15-10-17(2)24(27(34)35)25(22)33(23)16-18-11-13-19(14-12-18)20-7-5-6-8-21(20)26-29-31-32-30-26/h5-8,10-15H,3-4,9,16H2,1-2H3,(H,34,35)(H,29,30,31,32)
PubChem CID15355268
ChEMBLCHEMBL299340
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50328.1 nMMed Chem Res, (2010) 19:2:177ChEMBL
IC50340.0 nMMed Chem Res, (2010) 19:2:177ChEMBL

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