Zhang Lab

National University of Singapore

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

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	5-hydroxytryptamine receptor 4
Species	Homo sapiens (Human)
Gene	HTR4
Synonym	5-HT-4 5-hydroxytryptamine (serotonin) receptor 4, G protein-coupled 5-HT4 receptor 5-HT4 serotonin receptor 4
Disease	N/A
Length	388
Amino acid sequence	MDKLDANVSSEEGFGSVEKVVLLTFLSTVILMAILGNLLVMVAVCWDRQLRKIKTNYFIVSLAFADLLVSVLVMPFGAIELVQDIWIYGEVFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPTFISFLPIMQGWNNIGIIDLIEKRKFNQNSNSTYCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHAHQIQMLQRAGASSESRPQSADQHSTHRMRTETKAAKTLCIIMGCFCLCWAPFFVTNIVDPFIDYTVPGQVWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYRRPSILGQTVPCSTTTINGSTHVLRDAVECGGQWESQCHPPATSPLVAAQPSDT
UniProt	Q13639
Protein Data Bank	N/A
GPCR-HGmod model	Q13639
3D structure model	This predicted structure model is from GPCR-EXP Q13639.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1875
IUPHAR	9
DrugBank	BE0000084

Ligand

Name	SB207710
Molecular formula	C19H27IN2O4
IUPAC name	(1-butylpiperidin-4-yl)methyl 5-amino-6-iodo-2,3-dihydro-1,4-benzodioxine-8-carboxylate
Molecular weight	474.339
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.5
Synonyms	AC1NSKLR SB-207710 (1-Butylpiperidin-4-yl)methyl 8-amino-7-iodo-2,3-dihydrobenzo-[b][1,4]dioxine-5-carboxylate CHEMBL114112 L008862 (1-butyl-4-piperidinyl)-methyl-8-amino-7-iodo-1,4-benzodioxan-5-carboxyl-ate BDBM50327858 148703-08-6 D0B5MU 8-Amino-7-iodo-2,3-dihydro-benzo[1,4]dioxine-5-carboxylic acid 1-butyl-piperidin-4-ylmethyl ester SB 207710 (1-butylpiperidin-4-yl)methyl 5-amino-6-iodo-2,3-dihydro-1,4-benzodioxine-8-carboxylate SCHEMBL2939430 GTPL257 [ Show all ]
Inchi Key	FCKKCDRMGKXQDK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H27IN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
PubChem CID	5311423
ChEMBL	CHEMBL114112
IUPHAR	257
BindingDB	50327858
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	9.2 pKi	PMID12540230	ChEMBL
EC50	12.59 nM	PMID20812727	ChEMBL
EC50	13.0 nM	PMID20812727	BindingDB
Ki	0.05 nM	PMID11218067	BindingDB
Ki	0.0501187 - 0.0794328 nM	PMID11218067	IUPHAR
Ki	0.079 nM	PMID11218067	BindingDB
Ki	2.2 nM	PMID20812727	BindingDB,ChEMBL

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