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Ligand · 58O

58O · 6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile

58O, 6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile (C24 H23 F3 N6 O S, 500.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
58O
Formula
C24 H23 F3 N6 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

58O in 2 structures; the first of them:

  • 5DB1 · Menin in complex with MI-336 · 58O A601 · binds SER155, LEU177, SER178, GLU179, ASP180, HIS181, ALA182, PHE238 and 11 more
  • 5DB1 · Menin in complex with mi-336 · 58O A601 · binds SER155, LEU177, SER178, GLU179, ASP180, HIS181, ALA182, PHE238 and 11 more

Residues it binds most

TYR 2, ALA 2, GLU 2, MET 2, SER 2, ASP 2, CYS 2, GLY 2, HIS 2, LEU 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • PG4 · Tetraethylene glycol

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