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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

NameCHEMBL334092
Molecular formulaC20H31N5O3S
IUPAC name7,7-dioxo-8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7lambda6-thia-8-azaspiro[4.5]decan-9-one
Molecular weight421.56
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP1.6
SynonymsN/A
Inchi KeyBKQQMTMLYHASKD-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H31N5O3S/c26-18-16-20(6-1-2-7-20)17-29(27,28)25(18)11-4-3-10-23-12-14-24(15-13-23)19-21-8-5-9-22-19/h5,8-9H,1-4,6-7,10-17H2
PubChem CID44345377
ChEMBLCHEMBL334092
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
p[A50]4.9 -PMID7658443ChEMBL

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