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- ChemComp-LFO: N,1-dimethyl-1H-indole-3-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: LFO
NameName: N,1-dimethyl-1H-indole-3-carboxamide

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Chemical information

Composition
Formula: C11H12N2O / Number of atoms: 26 / Formula weight: 188.226 / Formal charge: 0
Others

5sl2

Type: non-polymer / PDB classification: HETAIN / Three letter code: LFO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SL2
History
Create componentMar 4, 2022
Initial releaseMar 16, 2022
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01CNC(=O)c1cn(C)c2ccccc21
CACTVS 3.385CNC(=O)c1cn(C)c2ccccc12
OpenEye OEToolkits 2.0.7CNC(=O)c1cn(c2c1cccc2)C

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SMILES CANONICAL

CACTVS 3.385CNC(=O)c1cn(C)c2ccccc12
OpenEye OEToolkits 2.0.7CNC(=O)c1cn(c2c1cccc2)C

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InChI

InChI 1.03InChI=1S/C11H12N2O/c1-12-11(14)9-7-13(2)10-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,12,14)

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InChIKey

InChI 1.03OHXYWSIWHXTWCT-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N,1-dimethyl-1H-indole-3-carboxamide
OpenEye OEToolkits 2.0.7~{N},1-dimethylindole-3-carboxamide

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PDB entries

Showing all 4 items

PDB-5sl2:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z100643660

PDB-7g8b:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z100643660

PDB-7h3p:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z100643660 (A71EV2A-x0451)

PDB-7h6j:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z100643660 (CHIKV_MacB-x0270)

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