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GPCR

Name5-hydroxytryptamine receptor 6
SpeciesHomo sapiens (Human)
GeneHTR6
Synonym5-HT6 receptor
5-hydroxytryptamine (serotonin) receptor 6, G protein-coupled
5-HT-6
serotonin receptor 6
ST-B17
[ Show all ]
DiseaseSchizophrenia
Obesity
Neurological disease
Neurodegenerative disease
Emesis
[ Show all ]
Length440
Amino acid sequenceMVPEPGPTANSTPAWGAGPPSAPGGSGWVAAALCVVIALTAAANSLLIALICTQPALRNTSNFFLVSLFTSDLMVGLVVMPPAMLNALYGRWVLARGLCLLWTAFDVMCCSASILNLCLISLDRYLLILSPLRYKLRMTPLRALALVLGAWSLAALASFLPLLLGWHELGHARPPVPGQCRLLASLPFVLVASGLTFFLPSGAICFTYCRILLAARKQAVQVASLTTGMASQASETLQVPRTPRPGVESADSRRLATKHSRKALKASLTLGILLGMFFVTWLPFFVANIVQAVCDCISPGLFDVLTWLGYCNSTMNPIIYPLFMRDFKRALGRFLPCPRCPRERQASLASPSLRTSHSGPRPGLSLQQVLPLPLPPDSDSDSDAGSGGSSGLRLTAQLLLPGEATQDPPLPTRAAAAVNFFNIDPAEPELRPHPLGIPTN
UniProtP50406
Protein Data BankN/A
GPCR-HGmod modelP50406
3D structure modelThis predicted structure model is from GPCR-EXP P50406.
BioLiPN/A
Therapeutic Target DatabaseT16691
ChEMBLCHEMBL3371
IUPHAR11
DrugBankBE0000945

Ligand

Namehaloperidol
Molecular formulaC21H23ClFNO2
IUPAC name4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Molecular weight375.868
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.2
SynonymsHalosten
NCGC00023875-06
HMS3261F08
NSC 170973
I14-14165
[ Show all ]
Inchi KeyLNEPOXFFQSENCJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
PubChem CID3559
ChEMBLCHEMBL54
IUPHAR86
BindingDB21398
DrugBankDB00502

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<5000.0 nMPMID12825922BindingDB,ChEMBL
Ki3666.0 nMPMID12629531, http://pdsp.med.unc.edu/pdsp.phpPDSP,BindingDB
Ki6000.0 nMPMID18595716PDSP,BindingDB,ChEMBL
Ki6600.0 nMPMID8522988, PMID9430133PDSP,BindingDB

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