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Ligand · JYM

JYM · 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine

JYM, 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine (C13 H16 F3 N5 O, 315.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
JYM
Formula
C13 H16 F3 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

JYM in 2 structures; the first of them:

  • 4CFN · Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2… · JYM A1298 · binds ILE10, GLY11, GLU12, GLY13, VAL18, ALA31, LYS33, VAL64 and 9 more
  • 4CFN · Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2… · JYM A1298 · binds ILE10, GLY11, GLU12, GLY13, VAL18, ALA31, LYS33, VAL64 and 9 more

Residues it binds most

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

Found with

  • DTT · 2,3-dihydroxy-1,4-dithiobutane

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