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GPCR

NameType-1 angiotensin II receptor
SpeciesOryctolagus cuniculus (Rabbit)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMMLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLAVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSSKKPVPCFEVE
UniProtP34976
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3948
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL290465
Molecular formulaC26H25N3O5
IUPAC name2-[carboxy-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]benzoic acid
Molecular weight459.502
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50285357
2-{Carboxy-[4-(7-methyl-2-propyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenoxy]-methyl}-benzoic acid
Inchi KeyASNCDNSJHCPGED-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25N3O5/c1-3-6-21-28-22-16(2)13-14-27-24(22)29(21)15-17-9-11-18(12-10-17)34-23(26(32)33)19-7-4-5-8-20(19)25(30)31/h4-5,7-14,23H,3,6,15H2,1-2H3,(H,30,31)(H,32,33)
PubChem CID15287889
ChEMBLCHEMBL290465
IUPHARN/A
BindingDB50285357
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50235.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:2:155BindingDB,ChEMBL

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