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GPCR

NameHydroxycarboxylic acid receptor 3
SpeciesHomo sapiens (Human)
GeneHCAR3
SynonymG-protein coupled receptor 109B
Nicotinic acid receptor 2
Nic2
NIACR2
Niacin receptor 2
[ Show all ]
DiseaseN/A
Length387
Amino acid sequenceMNRHHLQDHFLEIDKKNCCVFRDDFIAKVLPPVLGLEFIFGLLGNGLALWIFCFHLKSWKSSRIFLFNLAVADFLLIICLPFVMDYYVRRSDWKFGDIPCRLVLFMFAMNRQGSIIFLTVVAVDRYFRVVHPHHALNKISNWTAAIISCLLWGITVGLTVHLLKKKLLIQNGTANVCISFSICHTFRWHEAMFLLEFFLPLGIILFCSARIIWSLRQRQMDRHAKIKRAITFIMVVAIVFVICFLPSVVVRIHIFWLLHTSGTQNCEVYRSVDLAFFITLSFTYMNSMLDPVVYYFSSPSFPNFFSTLINRCLQRKITGEPDNNRSTSVELTGDPNKTRGAPEALIANSGEPWSPSYLGPTSNNHSKKGHCHQEPASLEKQLGCCIE
UniProtP49019
Protein Data BankN/A
GPCR-HGmod modelP49019
3D structure modelThis predicted structure model is from GPCR-EXP P49019.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4421
IUPHAR313
DrugBankBE0000836

Ligand

NameCHEMBL3299015
Molecular formulaC20H20N2O4
IUPAC name2-[[(E)-3-(2-methoxyquinolin-3-yl)prop-2-enoyl]amino]cyclohexene-1-carboxylic acid
Molecular weight352.39
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.6
SynonymsN/A
Inchi KeyOWHBVBAVTDDJLL-ZHACJKMWSA-N
Inchi IDInChI=1S/C20H20N2O4/c1-26-19-14(12-13-6-2-4-8-16(13)22-19)10-11-18(23)21-17-9-5-3-7-15(17)20(24)25/h2,4,6,8,10-12H,3,5,7,9H2,1H3,(H,21,23)(H,24,25)/b11-10+
PubChem CID90683380
ChEMBLCHEMBL3299015
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
Inhibition58.0 %PMID24864041ChEMBL

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