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Ligand · D2W

D2W · 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide

D2W, 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide (C26 H29 N3 O5, 463.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
D2W
Formula
C26 H29 N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

D2W in 2 structures; the first of them:

  • 6FA2 · Antibody derived (Abd-5) small molecule binding to KRAS. · D2W A203 · binds GLU3, LYS5, LEU6, VAL7, SER39, TYR40, ARG41, ASP54 and 6 more
  • 6FA2 · Antibody derived (abd-5) small molecule binding to KRAS. · D2W A203 · binds LYS5, LEU6, VAL7, SER39, TYR40, ARG41, ASP54, ILE55 and 5 more

Residues it binds most

TYR 12, LEU 11, LYS 12, ASP 12, ILE 12, SER 12, THR 12, VAL 12, ARG 11, GLY 8 (residue and the binding sites it lines).

Found with

  • GNP · Phosphoaminophosphonic acid-guanylate ester
  • MG · Magnesium ion

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