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GPCR

Name5-hydroxytryptamine receptor 1D
SpeciesHomo sapiens (Human)
GeneHTR1D
SynonymSerotonin 1D alpha receptor
serotonin receptor 1D
HTRL
Htr1db
5-HT-1D
[ Show all ]
DiseaseAcute migraine
Epilepsy
Migraine headaches
Mood disorder
Migraine
[ Show all ]
Length377
Amino acid sequenceMSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS
UniProtP28221
Protein Data BankN/A
GPCR-HGmod modelP28221
3D structure modelThis predicted structure model is from GPCR-EXP P28221.
BioLiPN/A
Therapeutic Target DatabaseT11072
ChEMBLCHEMBL1983
IUPHAR3
DrugBankBE0000659

Ligand

NameCHEMBL28178
Molecular formulaC16H15F3N4
IUPAC name4-piperazin-1-yl-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
Molecular weight320.319
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50015710
4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]quinoxaline
7-Trifluoromethyl-4-(1-piperazinyl)pyrrolo[1,2-a]quinoxaline
4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]quinoxaline(desmethyl-CGS-12066B)
Inchi KeyBLPNNGLJLMTUHN-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H15F3N4/c17-16(18,19)11-3-4-13-12(10-11)21-15(14-2-1-7-23(13)14)22-8-5-20-6-9-22/h1-4,7,10,20H,5-6,8-9H2
PubChem CID10805623
ChEMBLCHEMBL28178
IUPHARN/A
BindingDB50015710
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50190.0 nMPMID2374139BindingDB,ChEMBL

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