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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

NameCHEMBL113714
Molecular formulaC23H24N2O5
IUPAC name3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(1-hydroxyethyl)-2-propylimidazole-4-carboxylic acid
Molecular weight408.454
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.4
Synonyms1-[(2'-Carboxy-1,1'-biphenyl-4-yl)methyl]-2-propyl-4-(1-hydroxyethyl)-1H-imidazole-5-carboxylic acid
BDBM50049112
3-(2''-Carboxy-biphenyl-4-ylmethyl)-5-(1-hydroxy-ethyl)-2-propyl-3H-imidazole-4-carboxylic acid
Inchi KeyAKBCFEJJFRYVQQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24N2O5/c1-3-6-19-24-20(14(2)26)21(23(29)30)25(19)13-15-9-11-16(12-10-15)17-7-4-5-8-18(17)22(27)28/h4-5,7-12,14,26H,3,6,13H2,1-2H3,(H,27,28)(H,29,30)
PubChem CID10573495
ChEMBLCHEMBL113714
IUPHARN/A
BindingDB50049112
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5028.0 nMPMID8568823BindingDB,ChEMBL

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