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GPCR

Name5-hydroxytryptamine receptor 6
SpeciesRattus norvegicus (Rat)
GeneHtr6
Synonym5-HT-6
5-HT6
5-HT6 receptor
5-hydroxytryptamine (serotonin) receptor 6, G protein-coupled
Serotonin receptor 6
[ Show all ]
DiseaseN/A for non-human GPCRs
Length436
Amino acid sequenceMVPEPGPVNSSTPAWGPGPPPAPGGSGWVAAALCVVIVLTAAANSLLIVLICTQPALRNTSNFFLVSLFTSDLMVGLVVMPPAMLNALYGRWVLARGLCLLWTAFDVMCCSASILNLCLISLDRYLLILSPLRYKLRMTAPRALALILGAWSLAALASFLPLLLGWHELGKARTPAPGQCRLLASLPFVLVASGVTFFLPSGAICFTYCRILLAARKQAVQVASLTTGTAGQALETLQVPRTPRPGMESADSRRLATKHSRKALKASLTLGILLGMFFVTWLPFFVANIAQAVCDCISPGLFDVLTWLGYCNSTMNPIIYPLFMRDFKRALGRFLPCVHCPPEHRPALPPPPCGPLTAVPDQASACSRCCLCLCRQTQIQTPLQGAPRACSSQPSFCCLERPPGTPRHPPGPPLWSTSLSQTLWSLRYGRIHSVPP
UniProtP31388
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3372
IUPHAR11
DrugBankN/A

Ligand

Namemethysergide
Molecular formulaC21H27N3O2
IUPAC name(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Molecular weight353.466
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.3
SynonymsDSSTox_GSID_23307
GTPL134
Methylmethylergonovine
(6aR,9R)-4,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((S)-1-hydroxymethyl-propyl)-amide
Metisergide
[ Show all ]
Inchi KeyKPJZHOPZRAFDTN-ZRGWGRIASA-N
Inchi IDInChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
PubChem CID9681
ChEMBLCHEMBL1065
IUPHAR134
BindingDB50031942, 30708
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki251.189 - 398.107 nMPMID7680751, PMID9225298, PMID9798944, PMID9730917IUPHAR
Ki257.03 nMPMID9225298BindingDB
Ki338.84 nMPMID9225298BindingDB
Ki372.0 nMPMID7680751BindingDB
Ki398.11 nMPMID10821800BindingDB

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