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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

NameCHEMBL174935
Molecular formulaC22H36ClN5O2
IUPAC name4-amino-N-[1-[[1-(3-aminopropyl)piperidin-4-yl]methyl]piperidin-4-yl]-5-chloro-2-methoxybenzamide
Molecular weight438.013
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.9
SynonymsL018546
4-Amino-N-{1-[1-(3-amino-propyl)-piperidin-4-ylmethyl]-piperidin-4-yl}-5-chloro-2-methoxy-benzamide
N-[1-[1-(3-Aminopropyl)piperidine-4-ylmethyl]piperidine-4-yl]-2-methoxy-4-amino-5-chlorobenzamide
BDBM50112040
Inchi KeyDMUBQZCKFYYDBF-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H36ClN5O2/c1-30-21-14-20(25)19(23)13-18(21)22(29)26-17-5-11-28(12-6-17)15-16-3-9-27(10-4-16)8-2-7-24/h13-14,16-17H,2-12,15,24-25H2,1H3,(H,26,29)
PubChem CID44214754
ChEMBLCHEMBL174935
IUPHARN/A
BindingDB50112040
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5013.0 nMPMID11959005BindingDB
IC5013.4 nMPMID11959005ChEMBL

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