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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

NameCHEMBL143862
Molecular formulaC23H32N2O3
IUPAC name(1-butylpiperidin-4-yl)methyl 2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indole-11-carboxylate
Molecular weight384.52
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.6
SynonymsBDBM50421362
Inchi KeyFBUHEYRHDPWJEF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H32N2O3/c1-2-3-12-24-14-10-18(11-15-24)17-28-23(26)21-19-8-4-5-9-20(19)25-13-6-7-16-27-22(21)25/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3
PubChem CID10691444
ChEMBLCHEMBL143862
IUPHARN/A
BindingDB50421362
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.158489 nMN/ABindingDB
IC500.1585 nMBioorg. Med. Chem. Lett., (1994) 4:5:667, PMID7490724ChEMBL
IC500.16 nMPMID7490724BindingDB

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