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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

NameCHEMBL54194
Molecular formulaC28H28N6O2
IUPAC namemethyl 2-butyl-6-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
Molecular weight480.572
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.8
Synonyms1-[[2'-(1H-Tetrazol-5-yl)biphenyl-4-yl]methyl]-2-butyl-5-methyl-1H-benzimidazole-7-carboxylic acid methyl ester
SCHEMBL9194833
Inchi KeyCCTCSCYEMGZZSH-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H28N6O2/c1-4-5-10-25-29-24-16-18(2)15-23(28(35)36-3)26(24)34(25)17-19-11-13-20(14-12-19)21-8-6-7-9-22(21)27-30-32-33-31-27/h6-9,11-16H,4-5,10,17H2,1-3H3,(H,30,31,32,33)
PubChem CID19792197
ChEMBLCHEMBL54194
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
IC50870.0 nMMed Chem Res, (2010) 19:2:177ChEMBL
IC50870.96 nMMed Chem Res, (2010) 19:2:177ChEMBL

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