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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

NameMLS000679816
Molecular formulaC19H21N3O2S
IUPAC name2,2-dimethyl-N-[[(4-phenylbenzoyl)amino]carbamothioyl]propanamide
Molecular weight355.456
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP4.5
Synonyms2,2-dimethyl-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]propanamide
AC1M3EY4
HMS2764J05
N-{[2-(biphenyl-4-ylcarbonyl)hydrazinyl]carbonothioyl}-2,2-dimethylpropanamide
2,2-dimethyl-N-[[(4-phenylbenzoyl)amino]carbamothioyl]propanamide
[ Show all ]
Inchi KeyBQQVOJSHHJPMKP-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21N3O2S/c1-19(2,3)17(24)20-18(25)22-21-16(23)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,21,23)(H2,20,22,24,25)
PubChem CID2236648
ChEMBLCHEMBL1377849
IUPHARN/A
BindingDB65328
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5010762.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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