Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

You can:

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

NameCHEMBL1258452
Molecular formulaC18H28N2O3
IUPAC name(1-butylpiperidin-4-yl)methyl 4-amino-3-methoxybenzoate
Molecular weight320.433
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50327861
(1-butylpiperidin-4-yl)methyl 4-amino-3-methoxybenzoate
Inchi KeyDZZIAERGLDKTBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
PubChem CID49783415
ChEMBLCHEMBL1258452
IUPHARN/A
BindingDB50327861
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2.4 nMPMID20812727BindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417