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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

NameCHEMBL417366
Molecular formulaC22H22N2O5
IUPAC name3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(hydroxymethyl)-2-propylimidazole-4-carboxylic acid
Molecular weight394.427
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.0
Synonyms1-[(2'-Carboxy-1,1'-biphenyl-4-yl)methyl]-2-propyl-4-hydroxymethyl-1H-imidazole-5-carboxylic acid
BDBM50049108
3-(2''-Carboxy-biphenyl-4-ylmethyl)-5-hydroxymethyl-2-propyl-3H-imidazole-4-carboxylic acid
Inchi KeyAWFAYNQXWUOZAC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22N2O5/c1-2-5-19-23-18(13-25)20(22(28)29)24(19)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)21(26)27/h3-4,6-11,25H,2,5,12-13H2,1H3,(H,26,27)(H,28,29)
PubChem CID10786794
ChEMBLCHEMBL417366
IUPHARN/A
BindingDB50049108
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5058.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:177, PMID8568823BindingDB,ChEMBL

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