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	Cavia porcellus (Guinea pig)
Gene	HTR4
Synonym	5-HT-4 5-HT4 Serotonin receptor 4
Disease	N/A for non-human GPCRs
Length	388
Amino acid sequence	MDKLDANVSSKEGFGSVEKVVLLTFLSAVILMAILGNLLVMVAVCRDRQLRKIKTNYFIVSLAFADLLVSVLVMPFGAIELVQDIWVYGEMFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPMFISFLPIMQGWNNIGIVDLIEKRKFNQNSNSTYCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHARQIQVLQRAGAPAEGRPQPADQHSTHRMRTETKAAKTLCIIMGCFCLCWAPFFVTNIVDPFIDYTVPGQLWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYRRPSILGQTVPCSTTTINGSTHVLRDTVECGGQWESQCHPAASSPLVAAQPIDT
UniProt	O70528
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	CHEMBL5017
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	granisetron
Molecular formula	C18H24N4O
IUPAC name	1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide
Molecular weight	312.417
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.8
Synonyms	Granisetronum [INN-Latin] MFWNKCLOYSRHCJ-UHFFFAOYSA-N STL483411 1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide(BRL 43694) 124998-65-8 AB01274752_03 BRL-43694A EX-A1291 I06-0732 PDSP1_001266 [3H]-granisetron 1-methyl-n-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-1h-indazole-3-carboxamide 2-(9-Methyl-3,9-diaza-bicyclo[3.3.1]non-3-yl)-1-(1-methyl-1H-indol-3-yl)-ethanone(Granisetron) AKOS015895362 CHEMBL289469 Granisetron base Granisetron [USAN:BAN:INN] LS-172104 SC-15163 1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide AB01274752-01 BRL 43694 CTK8E8433 GTPL2292 N-(9-Methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1-methyl-1H-indazole-3-carboxamide TC-063582 1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide(Granisetron) 1364914-39-5 AC1L1G3K C18H24N4O exo-Granisetron (Granisetron Impurity F) Granisetron HCl KB-272637 PDSP2_001250 [3H]GRANISETRON (BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-indazole-3-carboxamide BCP10022 CHEMBL519643 Granisetron-d3 MCULE-2474398583 SCHEMBL445223 1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide 109889-09-0 AB01274752_02 BRL 43964 D0P2HR HY-B0071 NCGC00186041-01 [3H]-BRL-43694 1-methyl-N-((1S,5R)-9-methyl-9-aza-bicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide 1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo(3.3.1)non-3-yl)-, endo- AC1Q5GMW Granisetron Monohydrochloride L000281 RTC-063582 (granisetron)1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide AB0073059 BDBM50000483 CS-1509 [ Show all ]
Inchi Key	MFWNKCLOYSRHCJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
PubChem CID	3510
ChEMBL	CHEMBL289469
IUPHAR	N/A
BindingDB	50000483
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<1000.0 nM	PMID11755351	BindingDB,ChEMBL

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