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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

NameCHEMBL87842
Molecular formulaC24H23N3O2
IUPAC name2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid
Molecular weight385.467
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50145987
SCHEMBL683347
Inchi KeyCRKLJDSSQSUXJQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23N3O2/c1-4-21-26-22-15(2)13-16(3)25-23(22)27(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)24(28)29/h5-13H,4,14H2,1-3H3,(H,28,29)
PubChem CID19008869
ChEMBLCHEMBL87842
IUPHARN/A
BindingDB50145987
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503.8 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:41BindingDB,ChEMBL

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