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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

NameCHEMBL2113291
Molecular formulaC51H79ClN6O9
IUPAC name2-[4-[4-[3-[4-[3-[[4-(cyclohexylamino)-4-oxobutyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]phenyl]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
Molecular weight955.676
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP8.0
SynonymsN/A
Inchi KeyBSRMAEQAJPCJKX-UHFFFAOYSA-N
Inchi IDInChI=1S/C51H79ClN6O9/c1-50(2,3)66-48(62)57(29-13-19-45(59)54-39-17-9-8-10-18-39)27-11-15-37-21-23-38(24-22-37)16-12-28-58(49(63)67-51(4,5)6)30-14-20-46(60)55-40-25-31-56(32-26-40)33-34-65-47(61)41-35-42(52)43(53)36-44(41)64-7/h21-24,35-36,39-40H,8-20,25-34,53H2,1-7H3,(H,54,59)(H,55,60)
PubChem CID17754944
ChEMBLCHEMBL2113291
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Activity17.0 %PMID17676726ChEMBL
Activity105.0 %PMID17676726ChEMBL
Ki34.0 nMPMID17676726ChEMBL

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