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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

Name15532-75-9
Molecular formulaC11H13F3N2
IUPAC name1-[3-(trifluoromethyl)phenyl]piperazine
Molecular weight230.234
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.3
SynonymsKBio2_003275
1-(3-Trifluoromethylphenyl)-piperazine
KSC175O1N
1-[3-(trifluoromethyl)-phenyl]-piperazine
N-(-(3-Trifluoromethyl)phenyl)piperazine
[ Show all ]
Inchi KeyKKIMDKMETPPURN-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
PubChem CID4296
ChEMBLCHEMBL274866
IUPHAR115
BindingDB50007406
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50610.0 nMPMID2374139BindingDB,ChEMBL
Ki63.0957 - 79.4328 nMPMID1565658, PMID1652050IUPHAR
Ki64.56 nMPMID7984267PDSP,BindingDB
Ki85.0 nMPMID1652050PDSP,BindingDB
Ki114.0 nMPMID1565658PDSP,BindingDB
Ki210.0 nMPeroutka et al., PMID1989PDSP

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