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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

NameCHEMBL114303
Molecular formulaC28H36N6O
IUPAC name4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-ol
Molecular weight472.637
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.5
SynonymsSCHEMBL4352790
BDBM50083667
1-[3-[5-(4H-1,2,4-Triazole-4-yl)-1H-indole-3-yl]propyl]-4-[2-methylbenzyl(methyl)aminomethyl]piperidine-4-ol
4-{[Methyl-(2-methyl-benzyl)-amino]-methyl}-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ol
Inchi KeyAOXWFPMGOREYLC-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H36N6O/c1-22-6-3-4-7-24(22)18-32(2)19-28(35)11-14-33(15-12-28)13-5-8-23-17-29-27-10-9-25(16-26(23)27)34-20-30-31-21-34/h3-4,6-7,9-10,16-17,20-21,29,35H,5,8,11-15,18-19H2,1-2H3
PubChem CID44341609
ChEMBLCHEMBL114303
IUPHARN/A
BindingDB50083667
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity90.0 %PMID10612601ChEMBL
ED503.7 nMPMID10612601ChEMBL
IC501.3 nMPMID10612601BindingDB,ChEMBL

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