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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

NameCHEMBL85602
Molecular formulaC23H28N2OS
IUPAC name2a-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1-methyl-4,5-dihydro-3H-benzo[cd]indol-2-one
Molecular weight380.55
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.1
SynonymsSCHEMBL6423798
1-Methyl-2a-[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-yl)butyl]-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-2-one
Inchi KeyBETVPTZOBIULKH-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28N2OS/c1-24-19-8-4-6-17-7-5-12-23(21(17)19,22(24)26)11-2-3-13-25-14-9-20-18(16-25)10-15-27-20/h4,6,8,10,15H,2-3,5,7,9,11-14,16H2,1H3
PubChem CID11740526
ChEMBLCHEMBL85602
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki>1000.0 nMPMID12182857ChEMBL

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