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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

NameCHEMBL2057611
Molecular formulaC13H16N2O2
IUPAC namespiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclohexane]-7-carboxylic acid
Molecular weight232.283
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50388223
SCHEMBL13638167
SCHEMBL4479721
Inchi KeyADQXTVQLMDRXSS-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H16N2O2/c16-12(17)11-7-6-8-9(10(7)14-15-11)13(8)4-2-1-3-5-13/h8-9H,1-6H2,(H,14,15)(H,16,17)
PubChem CID11658691
ChEMBLCHEMBL2057611
IUPHARN/A
BindingDB50388223
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<10000.0 nMPMID22435740BindingDB,ChEMBL

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