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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

NameMLS001098424
Molecular formulaC12H12ClFN4O2S
IUPAC name3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonohydrazide
Molecular weight330.762
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.9
SynonymsAKOS001461578
MolPort-004-672-205
3-chloro-N''-(4,6-dimethylpyrimidin-2-yl)-4-fluoro-benzenesulfonohydrazide
CHEMBL1512236
MLS-0404193.0001
[ Show all ]
Inchi KeyBDHUQYMAAITDDM-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H12ClFN4O2S/c1-7-5-8(2)16-12(15-7)17-18-21(19,20)9-3-4-11(14)10(13)6-9/h3-6,18H,1-2H3,(H,15,16,17)
PubChem CID8480343
ChEMBLCHEMBL1512236
IUPHARN/A
BindingDB67379
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5023924.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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