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	Mus musculus (Mouse)
Gene	Htr4
Synonym	5-HT-4 5-HT4 5-HT4 receptor 5-hydroxytryptamine (serotonin) receptor 4, G protein-coupled serotonin receptor 4
Disease	N/A for non-human GPCRs
Length	388
Amino acid sequence	MDKLDANVSSNEGFRSVEKVVLLTFLAVVILMAILGNLLVMVAVCRDRQLRKIKTNYFIVSLAFADLLVSVLVMPFGAIELVQDIWAYGEMFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVLPMFISFLPIMQGWNNIGIVDVIEKRKFSHNSNSTWCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHAQQIQMLQRAGATSESRPQPADQHSTHRMRTETKAAKTLCVIMGCFCFCWAPFFVTNIVDPFIDYTVPEQVWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYKRPPILGQTVPCSTTTINGSTHVLRDTVECGGQWESRCHLTATSPLVAAQPSDT
UniProt	P97288
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2183
IUPHAR	9
DrugBank	N/A

Ligand

Name	Dau 6285
Molecular formula	C17H21N3O4
IUPAC name	(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-methoxy-2-oxo-3H-benzimidazole-1-carboxylate
Molecular weight	331.372
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.1
Synonyms	CHEMBL1194556 PDSP1_001680 SCHEMBL2945410 AC1L2WHB L000897 (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-methoxy-2-oxo-3H-benzimidazole-1-carboxylate CHEMBL552854 PDSP2_000035 Dau-6285 BDBM50007863 PDSP1_000035 123258-98-0 D04GSA PDSP2_001663 6-Methoxy-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester; hydrochloride GTPL246 [ Show all ]
Inchi Key	HKBNGEJJECJLOW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21)
PubChem CID	129928
ChEMBL	N/A
IUPHAR	246
BindingDB	50007863
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	26.91 nM	PMID8867105, PMID8946946	BindingDB
Ki	50.1187 nM	PMID8946946	IUPHAR
Ki	54.95 nM	PMID8946946	BindingDB

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