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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

NameMLS002245453
Molecular formulaC23H26N2O8
IUPAC name[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
Molecular weight458.467
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.0
Synonyms2-(4-methyl-3-nitrophenyl)-2-oxoethyl (2S)-2-[(3,5-dimethoxyphenyl)formamido]-3-methylbutanoate
MCULE-5915526300
AKOS034828774
SMR001309105
(2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester
[ Show all ]
Inchi KeyBDEYGGYVEKTISM-NRFANRHFSA-N
Inchi IDInChI=1S/C23H26N2O8/c1-13(2)21(24-22(27)16-8-17(31-4)11-18(9-16)32-5)23(28)33-12-20(26)15-7-6-14(3)19(10-15)25(29)30/h6-11,13,21H,12H2,1-5H3,(H,24,27)/t21-/m0/s1
PubChem CID16248297
ChEMBLCHEMBL1552207
IUPHARN/A
BindingDB67395
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<40000.0 nMPubChem BioAssay data setChEMBL

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