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Ligand · VSE

VSE · 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

VSE, 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (C29 H34 N6 O, 482.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its…

Component
VSE
Formula
C29 H34 N6 O
Class
ligand
Structures
2
PDB entries
2

Binding sites

VSE in 2 structures; the first of them:

  • 9BYJ · Crystal Structure of Hck in complex with the Src-family kinase inhibitor A-419259 · VSE A601 · binds LEU273, GLY274, VAL281, ALA293, LYS295, MET314, VAL323, ILE336 and 12 more
  • 5ZJ6 · Crystal structure of hck kinase complexed with a pyrrolo-pyrimidine inhibitor… · VSE A601 · binds LEU273, VAL281, ALA293, LYS295, ILE336, THR338, GLU339, PHE340 and 6 more

Residues it binds most

LEU 3, ASP 3, PHE 3, ALA 3, MET 3, VAL 3, GLU 3, LYS 3, SER 3, THR 3 (residue and the binding sites it lines).

Found with

  • SCN · Thiocyanate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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