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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

NameCHEMBL116448
Molecular formulaC18H27BrN2O2S
IUPAC name1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
Molecular weight415.39
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.0
SynonymsSCHEMBL4298542
BDBM85610
(2R)-1-(3-Bromophenylsulfonyl)-2-[2-(4-methylpiperidino)ethyl]pyrrolidine
(R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2-yl)-ethyl)-4-methyl piperidine
Inchi KeyJBIWUVRCMUOUNK-QGZVFWFLSA-N
Inchi IDInChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
PubChem CID10573876
ChEMBLCHEMBL116448
IUPHARN/A
BindingDB85610
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki>2511.89 nMPMID10669560ChEMBL
Ki2511.89 nMPMID10669560BindingDB

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