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Ligand · VSH

VSH · tert-butyl {4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate

VSH, tert-butyl {4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate (C20 H26 N6 O3, 398.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
VSH
Formula
C20 H26 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

VSH in 2 structures; the first of them:

  • 3VS6 · Crystal structure of HCK complexed with a pyrazolo-pyrimidine inhibitor tert-butyl… · VSH A603 · binds LEU273, GLY274, VAL281, ALA293, VAL294, LYS295, MET314, VAL323 and 14 more
  • 3VS6 · Crystal structure of hck complexed with a pyrazolo-pyrimidine inhibitor tert-butyl… · VSH A603 · binds LEU273, GLY274, VAL281, ALA293, VAL294, LYS295, MET314, VAL323 and 14 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • CL · Chloride ion

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