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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

NameCHEMBL439743
Molecular formulaC24H26N2O5
IUPAC name2-[4-[[5-ethoxycarbonyl-4-(hydroxymethyl)-2-propylimidazol-1-yl]methyl]phenyl]benzoic acid
Molecular weight422.481
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.7
Synonyms4'-[[2-Propyl-4-hydroxymethyl-5-ethoxycarbonyl-1H-imidazol-1-yl]methyl]-1,1'-biphenyl-2-carboxylic acid
3-(2''-Carboxy-biphenyl-4-ylmethyl)-5-hydroxymethyl-2-propyl-3H-imidazole-4-carboxylic acid ethyl ester
BDBM50049105
Inchi KeyARYGHSNZESJNGL-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N2O5/c1-3-7-21-25-20(15-27)22(24(30)31-4-2)26(21)14-16-10-12-17(13-11-16)18-8-5-6-9-19(18)23(28)29/h5-6,8-13,27H,3-4,7,14-15H2,1-2H3,(H,28,29)
PubChem CID10502342
ChEMBLCHEMBL439743
IUPHARN/A
BindingDB50049105
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50840.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:177, PMID8568823BindingDB,ChEMBL

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