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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

Name5-METHOXYTRYPTAMINE
Molecular formulaC11H14N2O
IUPAC name2-(5-methoxy-1H-indol-3-yl)ethanamine
Molecular weight190.246
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP0.5
SynonymsST2403990
UNII-3VMW6141KC
Biomol-NT_000156
O-Methylserotonin
CB06924
[ Show all ]
Inchi KeyJTEJPPKMYBDEMY-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
PubChem CID1833
ChEMBLCHEMBL8165
IUPHAR107
BindingDB82087
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1.7 nMPMID9303569PDSP,BindingDB
Ki1.99526 - 39.8107 nMPMID1565658, PMID8967979, PMID1652050IUPHAR
Ki2.18 nMPMID7984267PDSP,BindingDB
Ki2.2 nMPMID1652050PDSP,BindingDB
Ki4.1 nMPMID8568822BindingDB,ChEMBL
Ki4.78 nMPMID7984267PDSP,BindingDB
Ki5.4 nMPMID8568822BindingDB,ChEMBL
Ki6.17 nMWaeber et al., PMID1988PDSP
Ki7.3 nMPeroutka et al., PMID1989PDSP
Ki34.0 nMPMID1565658PDSP,BindingDB
Selectivity1.5 -PMID8568822ChEMBL

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