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GPCR

NameType-1 angiotensin II receptor
SpeciesHomo sapiens (Human)
GeneAGTR1
SynonymType-1 angiotensin II receptor
HAT1R
Agtr-1a
type-1A angiotensin II receptor
AT1
[ Show all ]
DiseaseMetabolic syndrome x
Myocardial infarction
Hypertension
Restenosis
Alzheimer disease
[ Show all ]
Length359
Amino acid sequenceMILNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWIPHQIFTFLDVLIQLGIIRDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKRYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSTKKPAPCFEVE
UniProtP30556
Protein Data Bank6do1, 4zud, 4yay
GPCR-HGmod modelP30556
3D structure modelThis structure is from PDB ID 6do1.
BioLiPBL0312790, BL0326733, BL0439004,BL0439005
Therapeutic Target DatabaseT74456
ChEMBLCHEMBL227
IUPHAR34
DrugBankBE0000062

Ligand

Name4-[(2E)-2-(2,4-dimethoxybenzylidene)hydrazinyl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidine
Molecular formulaC19H22N6O2
IUPAC nameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
Molecular weight366.425
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.6
SynonymsSTK016836
CHEMBL3191846
AKOS005377863
MolPort-002-539-013
302798-94-3
Inchi KeyBHIUFNZKXFDGDQ-RGVLZGJSSA-N
Inchi IDInChI=1S/C19H22N6O2/c1-12-9-18(22-19(21-12)25-14(3)8-13(2)24-25)23-20-11-15-6-7-16(26-4)10-17(15)27-5/h6-11H,1-5H3,(H,21,22,23)/b20-11+
PubChem CID9608279
ChEMBLCHEMBL3191846
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503512.0 nMPubChem BioAssay data setChEMBL

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