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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

NameML10302 scaffold, 14
Molecular formulaC50H72Cl2N8O8
IUPAC name2-[4-[4-[3-[4-[3-[[4-[[1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]amino]-4-oxobutyl]amino]propyl]phenyl]propylamino]butanoylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
Molecular weight984.074
Hydrogen bond acceptor14
Hydrogen bond donor6
XlogP5.6
SynonymsBDBM29529
CHEMBL442869
Inchi KeyAVRFLKAGKYQYFW-UHFFFAOYSA-N
Inchi IDInChI=1S/C50H72Cl2N8O8/c1-65-45-33-43(53)41(51)31-39(45)49(63)67-29-27-59-23-15-37(16-24-59)57-47(61)9-5-21-55-19-3-7-35-11-13-36(14-12-35)8-4-20-56-22-6-10-48(62)58-38-17-25-60(26-18-38)28-30-68-50(64)40-32-42(52)44(54)34-46(40)66-2/h11-14,31-34,37-38,55-56H,3-10,15-30,53-54H2,1-2H3,(H,57,61)(H,58,62)
PubChem CID42618250
ChEMBLCHEMBL442869
IUPHARN/A
BindingDB29529
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This 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
Activity10.0 %PMID19334715ChEMBL
EC509.0 nMPMID19334715BindingDB,ChEMBL
EC509000.0 nMPMID19334715BindingDB
Emax<50.0 %PMID19334715ChEMBL
Ki14.0 nMPMID19334715BindingDB,ChEMBL

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