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Yorodumi- ChemComp-I1X: 4-methyl-3-nitro-~{N}-[(2~{E},4~{E})-5-[2-[(oxidanylamino)methyl]... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: I1X |
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Name | Name: |
-Chemical information
Composition | Formula: C19H23N4O4 / Number of atoms: 50 / Formula weight: 371.41 / Formal charge: 1 | ||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: I1X / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7QYN | ||||||||
History |
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External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 4 items
PDB-7qyn:
Mus musculus acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium
PDB-7r2f:
Structure of tabun inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium
PDB-7r3c:
VX-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium
PDB-7r4e:
RVX-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium