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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

Name3-(4-Nitro-benzyloxy)-7,8,9,10-tetrahydro-benzo[c]chromen-6-one
Molecular formulaC20H17NO5
IUPAC name3-[(4-nitrophenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Molecular weight351.358
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.1
Synonyms3-((4-nitrobenzyl)oxy)-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
CHEBI:115544
HMS2377J20
ZINC651387
3-[(4-nitrobenzyl)oxy]-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
[ Show all ]
Inchi KeyAGYDNJPPEFCTLE-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H17NO5/c22-20-18-4-2-1-3-16(18)17-10-9-15(11-19(17)26-20)25-12-13-5-7-14(8-6-13)21(23)24/h5-11H,1-4,12H2
PubChem CID997475
ChEMBLCHEMBL1490166
IUPHARN/A
BindingDB76118
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC50<100000.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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