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GPCR

NameType-1 angiotensin II receptor
SpeciesCavia porcellus (Guinea pig)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMILNSSTEDGIKRIQDDCPKAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADICFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCVIIWLMAGLASLPAVIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFMFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIHDCKISDIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSTLSTKMSTLSYRPSDNVSSSAKKPVQCFEVE
UniProtQ9WV26
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1671613
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL22426
Molecular formulaC23H21N5O3
IUPAC namemethyl 2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate
Molecular weight415.453
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50047124
L005948
2,6-Dimethyl-4-[[[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]oxy]pyridine-3-carboxylic acid methyl ester
SCHEMBL9140162
2,6-Dimethyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethoxy]-nicotinic acid methyl ester
Inchi KeyPHTZSKZKEGZCHJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21N5O3/c1-14-12-20(21(15(2)24-14)23(29)30-3)31-13-16-8-10-17(11-9-16)18-6-4-5-7-19(18)22-25-27-28-26-22/h4-12H,13H2,1-3H3,(H,25,26,27,28)
PubChem CID9953638
ChEMBLCHEMBL22426
IUPHARN/A
BindingDB50047124
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5050.0 nMPMID8487261BindingDB,ChEMBL

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