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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

NameMLS000699844
Molecular formulaC17H14N2O5
IUPAC name2-[2-(4-methyl-2-nitrophenoxy)ethyl]isoindole-1,3-dione
Molecular weight326.308
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.8
SynonymsAG-690/08562015
2-[2-(4-methyl-2-nitro-phenoxy)ethyl]isoindole-1,3-dione
SMR000226065
HMS2599P09
AKOS008794373
[ Show all ]
Inchi KeyAIWKKFFJZDQGND-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H14N2O5/c1-11-6-7-15(14(10-11)19(22)23)24-9-8-18-16(20)12-4-2-3-5-13(12)17(18)21/h2-7,10H,8-9H2,1H3
PubChem CID824082
ChEMBLCHEMBL1360149
IUPHARN/A
BindingDB67247
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC509039.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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