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Ligand · 2XS

2XS · 4-[(3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide

2XS, 4-[(3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide (C25 H19 N3 O3, 409.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
2XS
Formula
C25 H19 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

2XS in 2 structures; the first of them:

  • 4OA7 · Crystal structure of Tankyrase1 in complex with IWR1 · 2XS A1402 · binds HIS1184, GLY1185, SER1186, PHE1188, ALA1191, ILE1192, LYS1195, GLY1196 and 11 more
  • 4OA7 · Crystal structure of TANKYRASE1 in complex with IWR1 · 2XS A1402 · binds HIS1184, GLY1185, SER1186, PHE1188, ALA1191, ILE1192, LYS1195, GLY1196 and 11 more

Residues it binds most

ILE 8, TYR 8, GLY 8, ALA 8, HIS 8, PHE 8, ASP 8, LYS 8, MET 8, SER 8 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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