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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

NameCHEMBL143952
Molecular formulaC25H30N6O2S
IUPAC nameN-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]methyl]benzenesulfonamide
Molecular weight478.615
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50083132
N-{1-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylmethyl}-benzenesulfonamide
Inchi KeyAPHNHZGDIUOAHB-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N6O2S/c32-34(33,23-6-2-1-3-7-23)29-16-20-10-13-30(14-11-20)12-4-5-21-17-26-25-9-8-22(15-24(21)25)31-18-27-28-19-31/h1-3,6-9,15,17-20,26,29H,4-5,10-14,16H2
PubChem CID10719448
ChEMBLCHEMBL143952
IUPHARN/A
BindingDB50083132
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5012.0 nMPMID10585208BindingDB,ChEMBL
Efficacy73.0 %PMID10585208ChEMBL
IC506.2 nMPMID10585208BindingDB,ChEMBL

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