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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

NameCHEMBL70793
Molecular formulaC41H44FN3O6S
IUPAC name(2-phenylphenyl)methyl 5-ethyl-3-[[2-fluoro-4-[2-(3-methylbutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate
Molecular weight725.876
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP9.5
SynonymsBDBM50283221
Inchi KeyBQVHWPHYIQLCCW-UHFFFAOYSA-N
Inchi IDInChI=1S/C41H44FN3O6S/c1-5-14-38-43-36(6-2)39(40(46)51-27-32-17-10-11-18-33(32)29-15-8-7-9-16-29)45(38)26-31-22-21-30(25-35(31)42)34-19-12-13-20-37(34)52(48,49)44-41(47)50-24-23-28(3)4/h7-13,15-22,25,28H,5-6,14,23-24,26-27H2,1-4H3,(H,44,47)
PubChem CID44311436
ChEMBLCHEMBL70793
IUPHARN/A
BindingDB50283221
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
IC503.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:18:2235BindingDB,ChEMBL

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