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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

NameMLS001206870
Molecular formulaC19H13NO7
IUPAC name[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-oxochromene-3-carboxylate
Molecular weight367.313
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.8
SynonymsMolPort-000-800-287
AKOS000536876
ST50187531
2-oxo-1-benzopyran-3-carboxylic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester
HMS2815P22
[ Show all ]
Inchi KeyAIAOTAFSXSSCRY-CMDGGOBGSA-N
Inchi IDInChI=1S/C19H13NO7/c1-25-17-10-12(8-9-20(23)24)6-7-16(17)27-19(22)14-11-13-4-2-3-5-15(13)26-18(14)21/h2-11H,1H3/b9-8+
PubChem CID1183382
ChEMBLCHEMBL1333737
IUPHARN/A
BindingDB67326
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5010415.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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