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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

NameLergotrile [USAN:INN]
Molecular formulaC17H18ClN3
IUPAC name2-(5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)acetonitrile
Molecular weight299.802
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.3
SynonymsAC1L1Y12
LS-64308
Ergoline-8-acetonitrile, 2-chloro-6-methyl-, (8beta)-
2-Chloro-6-methylergoline-8beta-acetonitrile
Lergotrilo [INN-Spanish]
[ Show all ]
Inchi KeyJKAHWGPTNVUTNB-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3
PubChem CID37586
ChEMBLN/A
IUPHARN/A
BindingDB50028672
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki36.3 nMPMID7984267BindingDB
Ki36.5 nMPMID7680751BindingDB

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