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Ligand · 3VE

3VE · N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine

3VE, N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine (C22 H18 Cl N7, 415.9 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
3VE
Formula
C22 H18 Cl N7
Class
ligand
Structures
2
PDB entries
1

Binding sites

3VE in 2 structures; the first of them:

  • 4WWP · Crystal structure of human PI3K-gamma in complex with pyridinylquinoline inhibitor… · 3VE A1204 · binds LYS802, VAL803, MET804, PRO810, LEU811, TRP812, ILE831, TYR867 and 10 more
  • 4WWP · Crystal structure of human PI3K-gamma in complex with pyridinylquinoline inhibitor… · 3VE A1204 · binds LYS802, VAL803, MET804, PRO810, LEU811, TRP812, ILE831, TYR867 and 10 more

Residues it binds most

ILE 2, LYS 2, MET 2, THR 2, VAL 2, ALA 2, GLU 2, LEU 2, PRO 2, TRP 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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