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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

NameCHEMBL3770342
Molecular formulaC14H18BrN5
IUPAC name4-N-(3-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
Molecular weight336.237
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP2.3
SynonymsN'-(3-Bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SCHEMBL17196716
BDBM50148831
J3.612.211K
Inchi KeyDDIYHVZHGLOJAJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)
PubChem CID118464420
ChEMBLCHEMBL3770342
IUPHARN/A
BindingDB50148831
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID26700945BindingDB,ChEMBL

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