Zhang Lab

National University of Singapore

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

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●ATGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred ●TCRfinder

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●TM-search ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●rMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●HPmod ●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	Rattus norvegicus (Rat)
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	406
Amino acid sequence	MDRLDANVSSNEGFGSVEKVVLLTFFAMVILMAILGNLLVMVAVCRDRQLRKIKTNYFIVSLAFADLLVSVLVNAFGAIELVQDIWFYGEMFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPMFISFLPIMQGWNNIGIVDVIEKRKFNHNSNSTFCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHAQQIQMLQRAGATSESRPQTADQHSTHRMRTETKAAKTLCVIMGCFCFCWAPFFVTNIVDPFIDYTVPEKVWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYKRPPILGQTVPCSTTTINGSTHVLRDTVECGGQWESRCHLTATSPLVAAQPVIRRPQDNDLEDSCSLKRSQS
UniProt	Q62758
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	CHEMBL4317
IUPHAR	9
DrugBank	N/A

Ligand

Name	CHEMBL8197
Molecular formula	C17H20N2O2
IUPAC name	(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1H-indole-3-carboxylate
Molecular weight	284.359
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.8
Synonyms	I14-10650 NCGC00015984-02 SCHEMBL463128 1H-Indole-3-carboxylic acid, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester AC1L1KP5 BBL033991 CCG-205327 L000605 NCGC00162379-01 STL257062 ACMC-20mr3z BDBM50007871 CTK0C2558 HMS1397L12 MLS000055682 Oprea1_655173 VA11915 1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester AB00420704_13 AN-15510 BRD-A83859836-001-01-4 ICS 205-930 NCGC00015984-03 SCHEMBL8946882 1H-Indole-3-carboxylic acid, endo-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester AC1Q625H BCP27620 CHEBI:91913 Lopac0_001253 NCGC00162379-02 TA1-RTA 124583-47-7 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate AKOS000573788 Biomol-NT_000158 D0O5CR HMS2494I19 MolPort-001-903-627 REGID_for_CID_5595 ZNRGQMMCGHDTEI-UHFFFAOYSA-N 1H-Indole-3-carboxylic acid, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo- AB1004880 BAS 01059550 BRD-A83859836-003-02-8 J-525142 NCGC00015984-05 SMR000060690 (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1H-indole-3-carboxylate 4CA-1284 ACMC-20bn7f BCPP000032 Enamine_001310 MCULE-8015780530 Oprea1_462281 Tox21 110272 156-45-6 89565-68-4 AKOS022111472 BPBio1_000618 [ Show all ]
Inchi Key	ZNRGQMMCGHDTEI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3
PubChem CID	5595
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50007871
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	100.0 nM	PMID9225293	BindingDB
Ki	159.0 nM	PMID8813606	BindingDB
Ki	251.18 nM	PMID9225293	BindingDB
Ki	501.18 nM	PMID9349523, PMID9225293	BindingDB
Ki	544.0 nM	PMID7796807, PMID8813606	BindingDB

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