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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

NameCHEMBL1668564
Molecular formulaC16H18N4O3S
IUPAC name3-(benzenesulfonyl)-5-(methoxymethyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
Molecular weight346.405
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.1
SynonymsUS8618114, 1.2.5(1)
BDBM50417916
SCHEMBL12441479
Inchi KeyAKYBXIOZAWNEGP-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18N4O3S/c1-11-9-12(10-23-3)18-16-14(15(17-2)19-20(11)16)24(21,22)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,17,19)
PubChem CID52918032
ChEMBLCHEMBL1668564
IUPHARN/A
BindingDB50417916
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC504.0 nM, NoneBindingDB,ChEMBL
Ki0.269 nMPMID21277782BindingDB
Ki0.2692 nMPMID21277782ChEMBL

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