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GPCR

NameHydroxycarboxylic acid receptor 2
SpeciesHomo sapiens (Human)
GeneHCAR2
SynonymG protein-coupled receptor 109A
PUMAG
Nicotinic acid receptor
Nic1
Niacr1
[ Show all ]
DiseaseType 2 diabetes
Hyperlipidaemia
Major depressive disorder
Cardiovascular disorder
Atherosclerosis
[ Show all ]
Length363
Amino acid sequenceMNRHHLQDHFLEIDKKNCCVFRDDFIVKVLPPVLGLEFIFGLLGNGLALWIFCFHLKSWKSSRIFLFNLAVADFLLIICLPFLMDNYVRRWDWKFGDIPCRLMLFMLAMNRQGSIIFLTVVAVDRYFRVVHPHHALNKISNRTAAIISCLLWGITIGLTVHLLKKKMPIQNGGANLCSSFSICHTFQWHEAMFLLEFFLPLGIILFCSARIIWSLRQRQMDRHAKIKRAITFIMVVAIVFVICFLPSVVVRIRIFWLLHTSGTQNCEVYRSVDLAFFITLSFTYMNSMLDPVVYYFSSPSFPNFFSTLINRCLQRKMTGEPDNNRSTSVELTGDPNKTRGAPEALMANSGEPWSPSYLGPTSP
UniProtQ8TDS4
Protein Data BankN/A
GPCR-HGmod modelQ8TDS4
3D structure modelThis predicted structure model is from GPCR-EXP Q8TDS4.
BioLiPN/A
Therapeutic Target DatabaseT00864
ChEMBLCHEMBL3785
IUPHAR312
DrugBankBE0000635

Ligand

NameSCHEMBL3179805
Molecular formulaC11H15ClN4O2
IUPAC name3-butyl-8-chloro-1-ethyl-7H-purine-2,6-dione
Molecular weight270.717
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.6
Synonyms3-Butyl-8-chloro-1-ethyl-3,7-dihydro-1H-purine-2,6-dione
CNKGFJPRCJQATK-UHFFFAOYSA-N
CHEMBL3731975
Inchi KeyCNKGFJPRCJQATK-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H15ClN4O2/c1-3-5-6-16-8-7(13-10(12)14-8)9(17)15(4-2)11(16)18/h3-6H2,1-2H3,(H,13,14)
PubChem CID59299543
ChEMBLCHEMBL3731975
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50>12589.2 nMNoneChEMBL
Efficacy<30.0 %NoneChEMBL

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