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Ligand · CJR

CJR · N4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine

CJR, N4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine (C12 H20 N6 O, 264.3 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
CJR
Formula
C12 H20 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

CJR in 2 structures; the first of them:

  • 6JVT · Crystal structure of human MTH1 in complex with compound MI1030 · CJR A200 · binds TYR7, LEU9, LYS23, ASN33, GLY36, GLY37, PHE72, PHE74 and 6 more
  • 6JVT · Crystal structure of human MTH1 in complex with compound MI1030 · CJR A200 · binds TYR7, LEU9, LYS23, ASN33, GLY36, GLY37, PHE72, PHE74 and 6 more

Residues it binds most

PHE 4, ASP 4, GLY 4, TRP 4, ASN 4, LEU 4, MET 4, TYR 4, LYS 2, THR 2 (residue and the binding sites it lines).

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