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GPCR

Name5-hydroxytryptamine receptor 1D
SpeciesSus scrofa (Pig)
GeneHTR1D
Synonym5-HT-1D
5-HT1D
Serotonin receptor 1D
DiseaseN/A for non-human GPCRs
Length291
Amino acid sequenceAMTDLLVSILVMPISIPYTITQTWSFGQLLCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAAAMIAIVWAISICISIPPLFWRQARAHEEISDCLVNTSQISYTIYSTCGAFYIPSLLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNPSLHEGHSHSAGSPLFFNHVKIKLADSVLERKRISAARERKATKTLGIILGAFIICWLPFFVASLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKVV
UniProtP79400
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4105
IUPHARN/A
DrugBankN/A

Ligand

NameCGS 12066B
Molecular formulaC17H17F3N4
IUPAC name4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
Molecular weight334.346
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.0
SynonymsUNII-5TB4SXQ7HG
4-(4-Methyl-1-piperazinyl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline #
BDBM81497
CGS 12066B-parent
CHEMBL27403
[ Show all ]
Inchi KeyLXFHSCDLMBZYKY-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3
PubChem CID2689
ChEMBLCHEMBL27403
IUPHAR109
BindingDB81497
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50123.03 nMPMID8642566, PMID9191957BindingDB,ChEMBL

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