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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

NameCHEMBL3754496
Molecular formulaC16H19FN2
IUPAC nameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine
Molecular weight258.34
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50140053
J3.602.235C
N,N-Diallyl-5-fluoro-1H-indole-3-ethanamine
Inchi KeyALTKABGEMCJWJH-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H19FN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
PubChem CID127026052
ChEMBLCHEMBL3754496
IUPHARN/A
BindingDB50140053
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki758.58 nMPMID26739781ChEMBL
Ki759.0 nMPMID26739781BindingDB
Ki>10000.0 nMPMID26739781BindingDB,ChEMBL

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