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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

NameCHEMBL2259777
Molecular formulaC27H36F3N5O4S
IUPAC name4-[[2-butyl-5-[(Z)-(1,3-dibutyl-2,5-dioxoimidazolidin-4-ylidene)methyl]imidazol-1-yl]methyl]-N-(trifluoromethyl)benzenesulfonamide
Molecular weight583.671
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.6
SynonymsN/A
Inchi KeyBPICHWHEATXJIM-QJOMJCCJSA-N
Inchi IDInChI=1S/C27H36F3N5O4S/c1-4-7-10-24-31-18-21(17-23-25(36)34(16-9-6-3)26(37)33(23)15-8-5-2)35(24)19-20-11-13-22(14-12-20)40(38,39)32-27(28,29)30/h11-14,17-18,32H,4-10,15-16,19H2,1-3H3/b23-17-
PubChem CID76333686
ChEMBLCHEMBL2259777
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
IC5029.6 nMMed Chem Res, (2010) 19:5:475ChEMBL
log(1/C)-1.471 -Med Chem Res, (2010) 19:5:475ChEMBL

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