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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

NameSMR000078951
Molecular formulaC21H22N2O3
IUPAC name2-[3-(furan-2-carbonyl)indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
Molecular weight350.418
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM31348
MLS000065297
2-[3-(furan-2-ylcarbonyl)-1H-indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CHEMBL1581164
AKOS022012129
[ Show all ]
Inchi KeyDDFKIBRAGFANTI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N2O3/c1-15-7-4-5-11-23(15)20(24)14-22-13-17(16-8-2-3-9-18(16)22)21(25)19-10-6-12-26-19/h2-3,6,8-10,12-13,15H,4-5,7,11,14H2,1H3
PubChem CID2964527
ChEMBLCHEMBL1581164
IUPHARN/A
BindingDB31348
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<50000.0 nMPubChem BioAssay data setChEMBL
IC5050000.0 nMN/ABindingDB

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