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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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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

NameMLS000583267
Molecular formulaC23H22N2O4
IUPAC name3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(4-nitroanilino)propan-1-one
Molecular weight390.439
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.5
SynonymsSMR000201103
3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(4-nitroanilino)propan-1-one
3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-[(4-nitrophenyl)amino]-1-propanone
3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-[(4-nitrophenyl)amino]propan-1-one
AC1MH57C
[ Show all ]
Inchi KeyAZIQFIZOMWOWDB-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22N2O4/c1-16-3-5-18(6-4-16)23(26)15-22(17-7-13-21(29-2)14-8-17)24-19-9-11-20(12-10-19)25(27)28/h3-14,22,24H,15H2,1-2H3
PubChem CID2971621
ChEMBLCHEMBL1510469
IUPHARN/A
BindingDB31354
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

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

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