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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

NameBRL-25594
Molecular formulaC22H26ClN3O2
IUPAC name4-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-methoxybenzamide
Molecular weight399.919
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50123807
CHEMBL164169
4-Amino-N-(8-benzyl-8-aza-bicyclo[3.2.1]oct-3-yl)-5-chloro-2-methoxy-benzamide
4-Amino-N-(8-benzoyl-8-aza-bicyclo[3.2.1]oct-3-yl)-5-chloro-2-methoxy-benzamide
Inchi KeyBQHYHGXYIOWFJL-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26ClN3O2/c1-28-21-12-20(24)19(23)11-18(21)22(27)25-15-9-16-7-8-17(10-15)26(16)13-14-5-3-2-4-6-14/h2-6,11-12,15-17H,7-10,13,24H2,1H3,(H,25,27)
PubChem CID10069545
ChEMBLCHEMBL164169
IUPHARN/A
BindingDB50123807
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki233.0 nMPMID12593651BindingDB,ChEMBL

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