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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

NameMLS000392370
Molecular formulaC22H17Cl2NO3
IUPAC name[2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 2-chlorobenzoate
Molecular weight414.282
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.0
Synonyms[2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 2-chlorobenzoate
2-chlorobenzoic acid [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester
HMS2533N03
AKOS007957733
MolPort-005-883-520
[ Show all ]
Inchi KeyFVHMFLPNHMJOMS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H17Cl2NO3/c1-14-11-12-16(13-19(14)24)25-21(26)20(15-7-3-2-4-8-15)28-22(27)17-9-5-6-10-18(17)23/h2-13,20H,1H3,(H,25,26)
PubChem CID3513763
ChEMBLCHEMBL1330917
IUPHARN/A
BindingDB31362
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC505284.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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