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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

NameCHEMBL131050
Molecular formulaC26H20N6O
IUPAC name2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline-6-carbonitrile
Molecular weight432.487
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.0
Synonyms2-Ethyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethoxy]-quinoline-6-carbonitrile
BDBM50003402
SCHEMBL9178429
4-[[2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methoxy]-2-ethylquinoline-6-carbonitrile
Inchi KeyIGGLDYAOSSEPJI-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H20N6O/c1-2-20-14-25(23-13-18(15-27)9-12-24(23)28-20)33-16-17-7-10-19(11-8-17)21-5-3-4-6-22(21)26-29-31-32-30-26/h3-14H,2,16H2,1H3,(H,29,30,31,32)
PubChem CID10412363
ChEMBLCHEMBL131050
IUPHARN/A
BindingDB50003402
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50360.0 nMPMID1433210BindingDB,ChEMBL

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