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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

NameCHEMBL70868
Molecular formulaC43H55FN4O7S
IUPAC name[4-[benzyl(butyl)amino]-4-oxobutyl] 5-ethyl-3-[[2-fluoro-4-[2-(3-methylbutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate
Molecular weight790.992
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP8.9
SynonymsBDBM50283203
Inchi KeyATVZZAXDSVBSGX-UHFFFAOYSA-N
Inchi IDInChI=1S/C43H55FN4O7S/c1-6-9-25-47(29-32-17-11-10-12-18-32)40(49)21-15-26-54-42(50)41-37(8-3)45-39(16-7-2)48(41)30-34-23-22-33(28-36(34)44)35-19-13-14-20-38(35)56(52,53)46-43(51)55-27-24-31(4)5/h10-14,17-20,22-23,28,31H,6-9,15-16,21,24-27,29-30H2,1-5H3,(H,46,51)
PubChem CID44311582
ChEMBLCHEMBL70868
IUPHARN/A
BindingDB50283203
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
IC500.2 nMBioorg. Med. Chem. Lett., (1994) 4:18:2235ChEMBL
IC500.2 nMN/ABindingDB

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