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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

NameMLS000058422
Molecular formulaC15H19ClN2O3
IUPAC name[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
Molecular weight310.778
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
SynonymsSMR000064084
HMS2404C05
Z18433691
MLS002633704
[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-cyclopentylpropanoate
[ Show all ]
Inchi KeyCFPAPTHPFYHAJT-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H19ClN2O3/c16-12-6-7-13(17-9-12)18-14(19)10-21-15(20)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,17,18,19)
PubChem CID2085057
ChEMBLCHEMBL1542860
IUPHARN/A
BindingDB31011
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5050000.0 nMN/ABindingDB

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