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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

NameCHEMBL89448
Molecular formulaC16H24N4O2
IUPAC nameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
Molecular weight304.394
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP1.4
SynonymsBDBM50403521
Inchi KeyACOPJGUABVTKCV-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H24N4O2/c1-2-6-15-14(5-1)21-12-13(22-15)11-17-7-3-8-18-16-19-9-4-10-20-16/h1-2,5-6,13,17H,3-4,7-12H2,(H2,18,19,20)
PubChem CID44322821
ChEMBLCHEMBL89448
IUPHARN/A
BindingDB50403521
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5025.0 nMN/ABindingDB
IC5025.12 nMBioorg. Med. Chem. Lett., (1995) 5:22:2649ChEMBL

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