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GPCR

Name5-hydroxytryptamine receptor 4
SpeciesCavia porcellus (Guinea pig)
GeneHTR4
Synonym5-HT-4
5-HT4
Serotonin receptor 4
DiseaseN/A for non-human GPCRs
Length388
Amino acid sequenceMDKLDANVSSKEGFGSVEKVVLLTFLSAVILMAILGNLLVMVAVCRDRQLRKIKTNYFIVSLAFADLLVSVLVMPFGAIELVQDIWVYGEMFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPMFISFLPIMQGWNNIGIVDLIEKRKFNQNSNSTYCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHARQIQVLQRAGAPAEGRPQPADQHSTHRMRTETKAAKTLCIIMGCFCLCWAPFFVTNIVDPFIDYTVPGQLWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYRRPSILGQTVPCSTTTINGSTHVLRDTVECGGQWESQCHPAASSPLVAAQPIDT
UniProtO70528
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5017
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL511555
Molecular formulaC18H20FN5O2
IUPAC name(2S)-2-amino-3-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]propanoic acid
Molecular weight357.389
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP-0.4
SynonymsBDBM50258462
(S)-2-Amino-3-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]propionic Acid
Inchi KeyCTKOQDQPYZTIFY-ZDUSSCGKSA-N
Inchi IDInChI=1S/C18H20FN5O2/c19-12-3-4-15-14(10-12)21-17(16-2-1-5-24(15)16)23-8-6-22(7-9-23)11-13(20)18(25)26/h1-5,10,13H,6-9,11,20H2,(H,25,26)/t13-/m0/s1
PubChem CID44157942
ChEMBLCHEMBL511555
IUPHARN/A
BindingDB50258462
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID19425598BindingDB,ChEMBL

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