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Ligand · 821

821 · [4-((1Z)-2-(acetylamino)-3-{[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxoprop-1-enyl)-2-formylphenyl]acet ic acid

821, [4-((1Z)-2-(acetylamino)-3-{[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxoprop-1-enyl)-2-formylphenyl]acet ic acid (C33 H33 N3 O6, 567.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
821
Formula
C33 H33 N3 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

821 in 2 structures; the first of them:

  • 1O43 · Crystal structure of SH2 in complex with RU82129. · 821 A300 · binds ARG14, ARG34, GLU35, SER36, GLU37, THR38, TYR43, CYS44 and 11 more
  • 1O43 · Crystal structure of SH2 in complex with RU82129. · 821 A300 · binds ARG14, ARG34, GLU35, SER36, GLU37, THR38, TYR43, CYS44 and 11 more

Residues it binds most

TYR 2, ARG 2, GLU 2, ILE 2, LYS 2, THR 2, ASP 2, CYS 2, GLY 2, HIS 2 (residue and the binding sites it lines).

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