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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

NameCHEMBL343105
Molecular formulaC17H24N2O
IUPAC nameN,N-dimethyl-2-[6-(oxan-4-yl)indol-1-yl]ethanamine
Molecular weight272.392
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP2.4
SynonymsBDBM50136465
Dimethyl-{2-[6-(tetrahydro-pyran-4-yl)-indol-1-yl]-ethyl}-amine
N,N-Dimethyl-6-(tetrahydro-2H-pyran-4-yl)-1H-indole-1-ethanamine
SCHEMBL7253663
Inchi KeyASNVZSKUEQSUEN-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H24N2O/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-5,8,13-14H,6-7,9-12H2,1-2H3
PubChem CID18007586
ChEMBLCHEMBL343105
IUPHARN/A
BindingDB50136465
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3.7 nMPMID14643336BindingDB,ChEMBL

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