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Ligand · 406

406 · N-[3-(4,5'-bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl) benzamide

406, N-[3-(4,5'-bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl) benzamide (C30 H31 F3 N8 O, 576.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
406
Formula
C30 H31 F3 N8 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

406 in 2 structures; the first of them:

  • 2E2B · Crystal structure of the c-Abl kinase domain in complex with INNO-406 · 406 A1001 · binds LEU248, TYR253, VAL256, ALA269, VAL270, LYS271, GLU286, VAL289 and 20 more
  • 2E2B · Crystal structure of the C-abl kinase domain in complex with inno-406 · 406 A1001 · binds LEU248, TYR253, VAL256, ALA269, VAL270, LYS271, GLU286, VAL289 and 20 more

Residues it binds most

VAL 4, LEU 4, ILE 4, PHE 4, ALA 4, GLU 4, MET 4, ARG 4, ASP 4, GLY 4 (residue and the binding sites it lines).

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