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Ligand

NameSMR000146590
Molecular formulaC14H14N2O4S
IUPAC nameS-[1-(1-acetylindol-3-yl)-2-nitroethyl] ethanethioate
Molecular weight306.336
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP1.9
SynonymsMLS000554273
S-[1-(1-acetylindol-3-yl)-2-nitroethyl] ethanethioate
S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate
Thioacetic acid S-[1-(1-acetyl-1H-indol-3-yl)-2-nitro-ethyl] ester
S-{1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl} ethanethioate
[ Show all ]
Inchi KeyHUTFFQPOGUXDQI-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H14N2O4S/c1-9(17)15-7-12(11-5-3-4-6-13(11)15)14(8-16(19)20)21-10(2)18/h3-7,14H,8H2,1-2H3
PubChem CID3775080
ChEMBLCHEMBL1458812
IUPHARN/A
BindingDB42045
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
124585G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319
124583Galanin receptor type 2O43603GALR2Homo sapiens (Human)387
124584Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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