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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

NameCHEMBL338123
Molecular formulaC30H36N4O4S
IUPAC namemethyl 4-[[2-butyl-5-[(Z)-[1-butyl-3-[(3-methylthiophen-2-yl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate
Molecular weight548.702
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.6
Synonyms4-[[2-Butyl-5-[[[(4Z)-2,5-dioxo-1-butyl-3-[(3-methyl-2-thienyl)methyl]tetrahydro-1H-imidazol]-4-ylidene]methyl]-1H-imidazol-1-yl]methyl]benzoic acid methyl ester
SCHEMBL9398236
Inchi KeyBMJBAOCXGKCHEL-UQQQWYQISA-N
Inchi IDInChI=1S/C30H36N4O4S/c1-5-7-9-27-31-18-24(33(27)19-22-10-12-23(13-11-22)29(36)38-4)17-25-28(35)32(15-8-6-2)30(37)34(25)20-26-21(3)14-16-39-26/h10-14,16-18H,5-9,15,19-20H2,1-4H3/b25-17-
PubChem CID10460186
ChEMBLCHEMBL338123
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5023.9 nMMed Chem Res, (2010) 19:5:475ChEMBL
log(1/C)-1.378 -Med Chem Res, (2010) 19:5:475ChEMBL

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