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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

NameMLS000860444
Molecular formulaC14H18N4OS
IUPAC nameN'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide
Molecular weight290.385
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.0
SynonymsSMR000458528
N''-(4-tert-butylphenyl)-4-methyl-5-thiadiazolecarbohydrazide
HMS2812I06
N'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide
AC1MDLLZ
[ Show all ]
Inchi KeyAMLNHSYELJZRKH-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H18N4OS/c1-9-12(20-18-15-9)13(19)17-16-11-7-5-10(6-8-11)14(2,3)4/h5-8,16H,1-4H3,(H,17,19)
PubChem CID2813088
ChEMBLCHEMBL1556712
IUPHARN/A
BindingDB67300
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502560.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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