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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

NameCHEMBL91069
Molecular formulaC26H29N3O5
IUPAC name3-[[4-[(2-butyl-1,4-dioxo-2,3-diazaspiro[4.4]nonan-3-yl)methyl]benzoyl]amino]benzoic acid
Molecular weight463.534
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.9
Synonyms3-[4-(3-Butyl-1,4-dioxo-2,3-diazaspiro[4.4]nonane-2-ylmethyl)benzoylamino]benzoic acid
3-[4-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-ylmethyl)-benzoylamino]-benzoic acid
BDBM50089994
Inchi KeyAIBRDMDDXILAQI-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H29N3O5/c1-2-3-15-28-24(33)26(13-4-5-14-26)25(34)29(28)17-18-9-11-19(12-10-18)22(30)27-21-8-6-7-20(16-21)23(31)32/h6-12,16H,2-5,13-15,17H2,1H3,(H,27,30)(H,31,32)
PubChem CID10623969
ChEMBLCHEMBL91069
IUPHARN/A
BindingDB50089994
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID10893306BindingDB,ChEMBL

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