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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

NameCHEMBL51349
Molecular formulaC26H26N6O
IUPAC name2-butyl-5-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
Molecular weight438.535
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.6
Synonyms1-[[2'-(1H-Tetrazol-5-yl)biphenyl-4-yl]methyl]-2-butyl-5-methoxy-1H-benzimidazole
SCHEMBL9199706
Inchi KeyHBSLDOJMYCLNOV-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N6O/c1-3-4-9-25-27-23-16-20(33-2)14-15-24(23)32(25)17-18-10-12-19(13-11-18)21-7-5-6-8-22(21)26-28-30-31-29-26/h5-8,10-16H,3-4,9,17H2,1-2H3,(H,28,29,30,31)
PubChem CID19792185
ChEMBLCHEMBL51349
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
IC50910.0 nMMed Chem Res, (2010) 19:2:177ChEMBL
IC50912.01 nMMed Chem Res, (2010) 19:2:177ChEMBL

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