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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

Namesumatriptan
Molecular formulaC14H21N3O2S
IUPAC name1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
Molecular weight295.401
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP0.9
Synonyms103628-46-2
Sumatran
Sumax
Sumatriptanum
Sumatriptanum [INN-Latin]
[ Show all ]
Inchi KeyKQKPFRSPSRPDEB-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
PubChem CID5358
ChEMBLCHEMBL128
IUPHAR54
BindingDB50005835
DrugBankDB00669

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC507.7 -Bioorg. Med. Chem. Lett., (1996) 6:15:1825ChEMBL
IC507.7 nMN/ABindingDB
IC5019.0 -Bioorg. Med. Chem. Lett., (1996) 6:15:1825ChEMBL
IC5019.0 nMN/ABindingDB
IC5019.95 nMPMID7752204, PMID8496922, PMID7932524, Bioorg. Med. Chem. Lett., (1993) 3:6:993BindingDB,ChEMBL
IC5020.0 nM, PMID7932524BindingDB
pKD7.6 -PMID8515429ChEMBL

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