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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

NameSMR000019649
Molecular formulaC25H29N3O4S
IUPAC nameethyl 1-[[2-(furan-2-carbonylamino)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethyl]piperidine-4-carboxylate
Molecular weight467.584
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM31031
ethyl 1-[{2-[(furan-2-ylcarbonyl)amino]-4,5-dimethylthiophen-3-yl}(pyridin-3-yl)methyl]piperidine-4-carboxylate
MolPort-000-226-593
cid_3245442
HMS2427I04
[ Show all ]
Inchi KeyFYETUTFFCYTDPF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29N3O4S/c1-4-31-25(30)18-9-12-28(13-10-18)22(19-7-5-11-26-15-19)21-16(2)17(3)33-24(21)27-23(29)20-8-6-14-32-20/h5-8,11,14-15,18,22H,4,9-10,12-13H2,1-3H3,(H,27,29)
PubChem CID3245442
ChEMBLCHEMBL1477013
IUPHARN/A
BindingDB31031
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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