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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

NameMLS000923770
Molecular formulaC20H18N2O7
IUPAC name[2-(3-nitrophenyl)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate
Molecular weight398.371
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.8
Synonyms2-(3-nitrophenyl)-2-oxoethyl 4-[(4-acetylphenyl)amino]-4-oxobutanoate
BDBM67360
SMR000620118
4-(4-acetylanilino)-4-oxobutanoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester
cid_1726742
[ Show all ]
Inchi KeyANHINKLKQXLBEG-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18N2O7/c1-13(23)14-5-7-16(8-6-14)21-19(25)9-10-20(26)29-12-18(24)15-3-2-4-17(11-15)22(27)28/h2-8,11H,9-10,12H2,1H3,(H,21,25)
PubChem CID1726742
ChEMBLCHEMBL1419495
IUPHARN/A
BindingDB67360
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5034501.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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