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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

NameCHEMBL74236
Molecular formulaC39H42FN3O6S2
IUPAC name(2-thiophen-3-ylphenyl)methyl 5-ethyl-3-[[2-fluoro-4-[2-(3-methylbutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate
Molecular weight731.898
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP9.2
SynonymsBDBM50283229
Inchi KeyBBYKQNJKFVTGSO-UHFFFAOYSA-N
Inchi IDInChI=1S/C39H42FN3O6S2/c1-5-11-36-41-34(6-2)37(38(44)49-24-29-12-7-8-13-31(29)30-19-21-50-25-30)43(36)23-28-17-16-27(22-33(28)40)32-14-9-10-15-35(32)51(46,47)42-39(45)48-20-18-26(3)4/h7-10,12-17,19,21-22,25-26H,5-6,11,18,20,23-24H2,1-4H3,(H,42,45)
PubChem CID44311558
ChEMBLCHEMBL74236
IUPHARN/A
BindingDB50283229
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
IC500.6 nMN/ABindingDB
IC500.6 nMBioorg. Med. Chem. Lett., (1994) 4:18:2235ChEMBL

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