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Ligand · VJ5

VJ5 · 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile

VJ5, 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile (C22 H18 Cl N7 O, 431.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
VJ5
Formula
C22 H18 Cl N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

VJ5 in 2 structures; the first of them:

  • 7OKL · Crystal structure of human BCL6 BTB domain in complex with compound 13e · VJ5 A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, MET114 and 2 more
  • 7OKL · Crystal structure of human BCL6 btb domain in complex with compound 13E · VJ5 A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, MET114 and 2 more

Residues it binds most

MET 2, ALA 2, CYS 2, GLN 2, GLU 2, GLY 2, HIS 2, SER 2, TYR 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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