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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

NameCHEMBL2158341
Molecular formulaC15H11N3O5S
IUPAC name[6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 1,3-oxazole-5-carboxylate
Molecular weight345.329
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP1.5
SynonymsBDBM50393933
Inchi KeyACOHLBJMHFMESU-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H11N3O5S/c1-9-2-3-17-15(18-9)24-7-10-4-11(19)13(6-21-10)23-14(20)12-5-16-8-22-12/h2-6,8H,7H2,1H3
PubChem CID71456693
ChEMBLCHEMBL2158341
IUPHARN/A
BindingDB50393933
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<79000.0 nMPMID23010269BindingDB,ChEMBL

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