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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

NameCHEMBL358335
Molecular formulaC24H25ClN6O2
IUPAC name2-butyl-6-chloro-4-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4H-pyrimidine-5-carboxylic acid
Molecular weight464.954
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.0
Synonyms2-Butyl-4-chloro-1,6-dihydro-1-[4-[2-(1H-tetrazol-5-yl)phenyl]benzyl]-6-methylpyrimidine-5-carboxylic acid
BDBM50004154
SCHEMBL9126709
2-Butyl-4-chloro-6-methyl-1-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,6-dihydro-pyrimidine-5-carboxylic acid
Inchi KeyFFGOUCLZEVSODP-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25ClN6O2/c1-3-4-9-20-26-22(25)21(24(32)33)15(2)31(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23-27-29-30-28-23/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,32,33)(H,27,28,29,30)
PubChem CID10322229
ChEMBLCHEMBL358335
IUPHARN/A
BindingDB50004154
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kb0.45 nMPMID21071232ChEMBL
Ki1.0 nMPMID21071232BindingDB,ChEMBL
Ratio25.0 -PMID21071232ChEMBL
Ratio Ki10.0 -PMID21071232ChEMBL

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