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Ligand · D6I

D6I · 6-(benzimidazol-1-yl)-N-[5-[3-(dimethylamino)propoxy]pyridin-2-yl]pyrimidin-4-amine

D6I, 6-(benzimidazol-1-yl)-N-[5-[3-(dimethylamino)propoxy]pyridin-2-yl]pyrimidin-4-amine (C21 H23 N7 O, 389.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
D6I
Formula
C21 H23 N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

D6I in 2 structures; the first of them:

  • 4BZD · Structure of CDK2 in complex with a benzimidazopyrimidine · D6I A1300 · binds GLU8, LYS9, ILE10, GLY13, VAL18, ALA31, LYS33, VAL64 and 12 more
  • 4BZD · Structure of CDK2 in complex with a benzimidazopyrimidine · D6I A1300 · binds GLU8, LYS9, ILE10, GLY13, VAL18, ALA31, LYS33, VAL64 and 12 more

Residues it binds most

ALA 2, ASP 2, GLN 2, GLU 2, LEU 2, LYS 2, PHE 2, VAL 2, ASN 2, GLY 2 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion

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