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GPCR

Name5-hydroxytryptamine receptor 4
SpeciesHomo sapiens (Human)
GeneHTR4
Synonym5-HT-4
5-hydroxytryptamine (serotonin) receptor 4, G protein-coupled
5-HT4 receptor
5-HT4
serotonin receptor 4
DiseaseN/A
Length388
Amino acid sequenceMDKLDANVSSEEGFGSVEKVVLLTFLSTVILMAILGNLLVMVAVCWDRQLRKIKTNYFIVSLAFADLLVSVLVMPFGAIELVQDIWIYGEVFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPTFISFLPIMQGWNNIGIIDLIEKRKFNQNSNSTYCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHAHQIQMLQRAGASSESRPQSADQHSTHRMRTETKAAKTLCIIMGCFCLCWAPFFVTNIVDPFIDYTVPGQVWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYRRPSILGQTVPCSTTTINGSTHVLRDAVECGGQWESQCHPPATSPLVAAQPSDT
UniProtQ13639
Protein Data BankN/A
GPCR-HGmod modelQ13639
3D structure modelThis predicted structure model is from GPCR-EXP Q13639.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1875
IUPHAR9
DrugBankBE0000084

Ligand

NameCHEMBL3759969
Molecular formulaC22H33ClN4O5
IUPAC namemethyl 4-[[(3R,4S)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]methyl]piperidine-1-carboxylate
Molecular weight468.979
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM50142904
SCHEMBL3316902
Inchi KeyDBZDEQRZDSXAQA-AZUAARDMSA-N
Inchi IDInChI=1S/C22H33ClN4O5/c1-30-19-11-17(24)16(23)10-15(19)21(28)25-18-6-7-26(13-20(18)31-2)12-14-4-8-27(9-5-14)22(29)32-3/h10-11,14,18,20H,4-9,12-13,24H2,1-3H3,(H,25,28)/t18-,20+/m0/s1
PubChem CID68593458
ChEMBLCHEMBL3759969
IUPHARN/A
BindingDB50142904
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50190.0 nMPMID26761776BindingDB,ChEMBL

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