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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

NameCHEMBL277452
Molecular formulaC34H40N6O2
IUPAC name3-[4-[4-[[4-(5-carbamoyl-1H-indol-3-yl)cyclohex-3-en-1-yl]amino]butylamino]cyclohexen-1-yl]-1H-indole-5-carboxamide
Molecular weight564.734
Hydrogen bond acceptor4
Hydrogen bond donor6
XlogP3.6
SynonymsBDBM50285312
3-(4-{4-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]butylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide
Inchi KeyCOSYVLIRDFEWDN-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H40N6O2/c35-33(41)23-7-13-31-27(17-23)29(19-39-31)21-3-9-25(10-4-21)37-15-1-2-16-38-26-11-5-22(6-12-26)30-20-40-32-14-8-24(34(36)42)18-28(30)32/h3,5,7-8,13-14,17-20,25-26,37-40H,1-2,4,6,9-12,15-16H2,(H2,35,41)(H2,36,42)
PubChem CID44458045
ChEMBLCHEMBL277452
IUPHARN/A
BindingDB50285312
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50<1000.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:2:123BindingDB,ChEMBL

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