Ligand · I1X

I1X · 4-methyl-3-nitro-~{N}-[(2~{E},4~{E})-5-[2-[(oxidanylamino)methyl]pyridin-1-yl]penta-2,4-dienyl]benzamide

I1X, 4-methyl-3-nitro-~{N}-[(2~{E},4~{E})-5-[2-[(oxidanylamino)methyl]pyridin-1-yl]penta-2,4-dienyl]benzamide (C19 H23 N4 O4 +1, 371.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (4 PDB entries). Every binding site…

Component: I1X
Formula: C19 H23 N4 O4 +1
Class: ligand
Structures: 6
PDB entries: 4

Binding sites

I1X in 6 structures; the first of them:

7R2F · Structure of tabun inhibited acetylcholinesterase in complex with… · I1X A603 · binds TYR72, ASP74, TYR124, GLU285, TRP286, LEU289, ARG296, PHE297 and 4 more
7R3C · VX-inhibited acetylcholinesterase in complex with… · I1X A601 · binds TYR72, ASP74, TRP86, GLY120, GLY121, TYR124, TYR133, GLU202 and 11 more
7QYN · Mus musculus acetylcholinesterase in complex with 2-((hydroxyimino)… · I1X A603 · binds TYR72, TRP86, GLY121, GLY122, TYR124, SER203, ALA204, GLU285 and 7 more
7R2F · Structure of tabun inhibited acetylcholinesterase in complex with 2… · I1X A603 · binds TYR72, TYR124, GLU285, TRP286, LEU289, ARG296, PHE297, SER298 and 2 more
7R3C · Vx-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)… · I1X A601 · binds TYR72, ASP74, TRP86, GLY120, GLY121, TYR124, GLU202, SVX203 and 6 more
7R4E · Rvx-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)… · I1X A601 · binds TYR72, TYR124, GLU285, TRP286, ARG296, PHE297, SER298, TYR337 and 2 more

Residues it binds most

TYR 12, PHE 12, TRP 12, GLY 6, GLU 12, SER 10, HIS 6, ASP 5, ARG 4, SVX 4 (residue and the binding sites it lines).

Found with

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
PG0 · 2-(2-methoxyethoxy)ethanol
P15 · 2,5,8,11,14,17-hexaoxanonadecan-19-ol
TOE · 2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxyl
7PG · 2,5,8,11,14,17,20,23-octaoxapentacosan-25-ol
CL · Chloride ion

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