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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

NameCHEMBL358948
Molecular formulaC19H15N3O2S2
IUPAC name2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrido[1,2-a]pyrimidin-4-imine
Molecular weight381.468
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50134809
SCHEMBL6293646
2-Methylsulfanyl-3-(naphthalene-2-sulfonyl)-pyrido[1,2-a]pyrimidin-(4Z)-ylideneamine
Inchi KeyABACOHMKABNQSM-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H15N3O2S2/c1-25-19-17(18(20)22-11-5-4-8-16(22)21-19)26(23,24)15-10-9-13-6-2-3-7-14(13)12-15/h2-12,20H,1H3
PubChem CID10362440
ChEMBLCHEMBL358948
IUPHARN/A
BindingDB50134809
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5059.0 nMPMID24495863ChEMBL
IC5079.2 nMPMID14584934BindingDB,ChEMBL

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