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GPCR

Name5-hydroxytryptamine receptor 1E
SpeciesHomo sapiens (Human)
GeneHTR1E
Synonym5-HT-1E
5-HT1E
5-hydroxytryptamine (serotonin) receptor 1E, G protein-coupled
5-HT1Ealpha
Serotonin receptor 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

Name5-Carboxamidotryptamine
Molecular formulaC11H13N3O
IUPAC name3-(2-aminoethyl)-1H-indole-5-carboxamide
Molecular weight203.245
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP-0.6
Synonyms1H-Indole-5-carboxamide, 3-(2-aminoethyl)-
1H-Indole-5-carboxamide,3-(2-aminoethyl)-
3-(2-AMINO-ETHYL)-1H-INDOLE-5-CARBOXYLIC ACID AMIDE
3-(2-aminoethyl)-1H-indole-5-carboxamide
3-(2-aminoethyl)-1h-indole-5-carboxylic acid amide
[ Show all ]
Inchi KeyWKZLNEWVIAGNAW-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
PubChem CID1809
ChEMBLCHEMBL18840
IUPHAR4
BindingDB21392
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID1513320BindingDB
Ki910.0 nMPMID2664084PDSP,BindingDB
Ki3162.28 - 7943.28 nMPMID8863519, PMID1608964, PMID8380639, PMID14744596IUPHAR
Ki3311.31 nMPMID7984267PDSP,BindingDB
Ki7079.45 nMPMID7984267PDSP,BindingDB
Ki7875.0 nMPMID1513320PDSP,BindingDB
Ki7943.28 nMPMID7984267PDSP,BindingDB

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