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GPCR

Name5-hydroxytryptamine receptor 1E
SpeciesHomo sapiens (Human)
GeneHTR1E
Synonym5-hydroxytryptamine (serotonin) receptor 1E, G protein-coupled
5-HT1Ealpha
5-ht1e receptor
5-HT1E
5-HT-1E
[ Show all ]
DiseaseN/A
Length365
Amino acid sequenceMNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT
UniProtP28566
Protein Data BankN/A
GPCR-HGmod modelP28566
3D structure modelThis predicted structure model is from GPCR-EXP P28566.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2182
IUPHAR4
DrugBankBE0000476

Ligand

NameCHEMBL3104091
Molecular formulaC20H20N2
IUPAC name5-methyl-1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2(7),8,10,12(21),15,17,19-heptaene
Molecular weight288.394
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50445616
SCHEMBL11772676
Inchi KeyDVSMVUMYJDOPJQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20N2/c1-21-12-11-19-17(13-21)16-7-4-6-15-10-9-14-5-2-3-8-18(14)22(19)20(15)16/h2-8H,9-13H2,1H3
PubChem CID21509921
ChEMBLCHEMBL3104091
IUPHARN/A
BindingDB50445616
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4045.0 nMPMID24365159ChEMBL
Ki4073.8 nMPMID24365159ChEMBL

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