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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

NameCHEMBL2057604
Molecular formulaC10H12N2O3
IUPAC name(2S,3S,4R)-3-(methoxymethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
Molecular weight208.217
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP0.3
SynonymsBDBM50388217
SCHEMBL13631493
Inchi KeyAPQANBAOGDTTDE-QTSITTDLSA-N
Inchi IDInChI=1S/C10H12N2O3/c1-15-3-6-4-2-5-8(7(4)6)11-12-9(5)10(13)14/h4,6-7H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-,6-,7-/m0/s1
PubChem CID57412302
ChEMBLCHEMBL2057604
IUPHARN/A
BindingDB50388217
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC502470.0 nMPMID22435740BindingDB,ChEMBL
Efficacy91.5 %PMID22435740ChEMBL

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