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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

NameCHEMBL109839
Molecular formulaC21H34N2O
IUPAC name2-(5-undecoxy-1H-indol-3-yl)ethanamine
Molecular weight330.516
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP5.6
SynonymsSCHEMBL14907353
BDBM50049096
5-Undecyloxy-1H-indole-3-(ethanamine)
2-(5-Undecyloxy-1H-indol-3-yl)-ethylamine
Inchi KeyABZFRCOSCWYNAE-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H34N2O/c1-2-3-4-5-6-7-8-9-10-15-24-19-11-12-21-20(16-19)18(13-14-22)17-23-21/h11-12,16-17,23H,2-10,13-15,22H2,1H3
PubChem CID10640199
ChEMBLCHEMBL109839
IUPHARN/A
BindingDB50049096
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki69.0 nMPMID8568822BindingDB,ChEMBL
Selectivity3.3 -PMID8568822ChEMBL

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