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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

NameCHEMBL39542
Molecular formulaC35H26N6O
IUPAC name2,5,5-triphenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one
Molecular weight546.634
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.6
SynonymsBDBM50282739
2,5,5-Triphenyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3,5-dihydro-imidazol-4-one
Inchi KeyBJZSOIKHHJHEQZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H26N6O/c42-34-35(28-14-6-2-7-15-28,29-16-8-3-9-17-29)36-33(27-12-4-1-5-13-27)41(34)24-25-20-22-26(23-21-25)30-18-10-11-19-31(30)32-37-39-40-38-32/h1-23H,24H2,(H,37,38,39,40)
PubChem CID44285212
ChEMBLCHEMBL39542
IUPHARN/A
BindingDB50282739
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
IC501400.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:12:1527BindingDB,ChEMBL

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