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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

NameMLS000723451
Molecular formulaC13H10N4O3
IUPAC name3-nitro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
Molecular weight270.248
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.9
Synonyms3-nitro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
ST50560660
3-nitro-N'-[(1E)-pyridin-2-ylmethylene]benzohydrazide
AKOS001424105
3-nitro-N-(2-pyridylmethyleneamino)benzamide
[ Show all ]
Inchi KeyBDIPDGBKQLKZNG-OQLLNIDSSA-N
Inchi IDInChI=1S/C13H10N4O3/c18-13(10-4-3-6-12(8-10)17(19)20)16-15-9-11-5-1-2-7-14-11/h1-9H,(H,16,18)/b15-9+
PubChem CID5339648
ChEMBLCHEMBL2005961
IUPHARN/A
BindingDB60251
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC508108.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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