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GPCR

NameHydroxycarboxylic acid receptor 2
SpeciesHomo sapiens (Human)
GeneHCAR2
SynonymG-protein coupled receptor HM74A
G-protein coupled receptor 109A
PUMAG
Nicotinic acid receptor
HCA2 receptor
[ Show all ]
DiseaseHyperlipidaemia
Acute ischemic stroke
Arteriosclerosis
Atherosclerosis
Cardiovascular disorder
[ 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

NameCHEMBL1770356
Molecular formulaC18H21N5O5
IUPAC name(4R)-2-[[(2S)-2-amino-3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]-4-methylcyclohexene-1-carboxylic acid
Molecular weight387.396
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP-1.3
SynonymsBDBM50342528
(R)-2-((S)-2-amino-3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)-4-methylcyclohex-1-enecarboxylic acid
Inchi KeyAZRYCCXGUQHARW-SKDRFNHKSA-N
Inchi IDInChI=1S/C18H21N5O5/c1-9-2-4-11(18(26)27)14(6-9)21-17(25)12(19)7-15-22-16(23-28-15)13-5-3-10(24)8-20-13/h3,5,8-9,12,24H,2,4,6-7,19H2,1H3,(H,21,25)(H,26,27)/t9-,12+/m1/s1
PubChem CID136000580
ChEMBLCHEMBL1770356
IUPHARN/A
BindingDB50342528
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5085.0 nMPMID21185185BindingDB,ChEMBL
IC5011.0 nMPMID21185185BindingDB,ChEMBL
Ratio IC508.0 -PMID21185185ChEMBL

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