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GPCR

Name5-hydroxytryptamine receptor 4
SpeciesHomo sapiens (Human)
GeneHTR4
Synonym5-HT-4
5-hydroxytryptamine (serotonin) receptor 4, G protein-coupled
5-HT4 receptor
5-HT4
serotonin receptor 4
DiseaseN/A
Length388
Amino acid sequenceMDKLDANVSSEEGFGSVEKVVLLTFLSTVILMAILGNLLVMVAVCWDRQLRKIKTNYFIVSLAFADLLVSVLVMPFGAIELVQDIWIYGEVFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPTFISFLPIMQGWNNIGIIDLIEKRKFNQNSNSTYCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHAHQIQMLQRAGASSESRPQSADQHSTHRMRTETKAAKTLCIIMGCFCLCWAPFFVTNIVDPFIDYTVPGQVWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYRRPSILGQTVPCSTTTINGSTHVLRDAVECGGQWESQCHPPATSPLVAAQPSDT
UniProtQ13639
Protein Data BankN/A
GPCR-HGmod modelQ13639
3D structure modelThis predicted structure model is from GPCR-EXP Q13639.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1875
IUPHAR9
DrugBankBE0000084

Ligand

NameCHEMBL120055
Molecular formulaC23H28N4O2
IUPAC name2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
Molecular weight392.503
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.8
Synonyms2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-o-tolyl-piperazin-1-yl)-ethanone
1-[4-[2-Methylphenyl]piperazin-1-yl]-2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethanone
BDBM50033447
L011210
Inchi KeyDWSOZYFSYVOVOC-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28N4O2/c1-17-4-2-3-5-22(17)26-10-12-27(13-11-26)23(28)16-29-19-6-7-21-20(14-19)18(8-9-24)15-25-21/h2-7,14-15,25H,8-13,16,24H2,1H3
PubChem CID10385855
ChEMBLCHEMBL120055
IUPHARN/A
BindingDB50033447
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:7:663BindingDB,ChEMBL

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