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- ChemComp-LRF: N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide -

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Basic information

EntryDatabase: PDB chemical components / ID: LRF
NameName: N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide

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Chemical information

Composition
Formula: C8H10N4OS / Number of atoms: 24 / Formula weight: 210.256 / Formal charge: 0
Others

5smc

Type: non-polymer / PDB classification: HETAIN / Three letter code: LRF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SMC
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 12.01N#Cc1c(snc1C)N(C)CC(N)=O
CACTVS 3.385CN(CC(N)=O)c1snc(C)c1C#N
OpenEye OEToolkits 2.0.7Cc1c(c(sn1)N(C)CC(=O)N)C#N

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SMILES CANONICAL

CACTVS 3.385CN(CC(N)=O)c1snc(C)c1C#N
OpenEye OEToolkits 2.0.7Cc1c(c(sn1)N(C)CC(=O)N)C#N

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InChI

InChI 1.03InChI=1S/C8H10N4OS/c1-5-6(3-9)8(14-11-5)12(2)4-7(10)13/h4H2,1-2H3,(H2,10,13)

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InChIKey

InChI 1.03BCFQGXBWVPWHCV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide
OpenEye OEToolkits 2.0.72-[(4-cyano-3-methyl-1,2-thiazol-5-yl)-methyl-amino]ethanamide

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PDB entries

Showing all 4 items

PDB-5smc:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2033637875

PDB-7gah:
PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z2033637875

PDB-7gop:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z2033637875

PDB-7h78:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z2033637875 (CHIKV_MacB-x0553)

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