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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

NameCHEMBL3589791
Molecular formulaC23H21NO4
IUPAC name2-[3-[4-(4-hydroxy-3-methylphenyl)phenyl]propanoylamino]benzoic acid
Molecular weight375.424
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.7
SynonymsN/A
Inchi KeyBKTDKXZVNLFHBJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21NO4/c1-15-14-18(11-12-21(15)25)17-9-6-16(7-10-17)8-13-22(26)24-20-5-3-2-4-19(20)23(27)28/h2-7,9-12,14,25H,8,13H2,1H3,(H,24,26)(H,27,28)
PubChem CID122181105
ChEMBLCHEMBL3589791
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
IC50201.0 nMPMID25737085ChEMBL
Ratio0.83 -PMID25737085ChEMBL

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