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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

NameCHEMBL1762574
Molecular formulaC18H21N5O2S
IUPAC name3-(benzenesulfonyl)-5,7-dimethyl-2-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
Molecular weight371.459
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.7
Synonyms5,7-Dimethyl-3-(phenylsulfonyl)-2-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
ZINC71317063
BDBM50340734
MolPort-021-806-472
5,7-dimethyl-2-piperazinopyrazolo[1,5-a]pyrimidin-3-yl phenyl sulfone
[ Show all ]
Inchi KeyAADWHZPNHCHIAB-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21N5O2S/c1-13-12-14(2)23-17(20-13)16(18(21-23)22-10-8-19-9-11-22)26(24,25)15-6-4-3-5-7-15/h3-7,12,19H,8-11H2,1-2H3
PubChem CID52915983
ChEMBLCHEMBL1762574
IUPHARN/A
BindingDB50340734
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1380.0 nMPMID21333408BindingDB,ChEMBL

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