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Ligand · NQW

NQW · 5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one

NQW, 5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one (C23 H31 Cl N6 O3, 475.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
NQW
Formula
C23 H31 Cl N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

NQW in 2 structures; the first of them:

  • 6TOL · Crystal structure of human BCL6 BTB domain in complex with compound 25a · NQW A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, MET114 and 2 more
  • 6TOL · Crystal structure of human BCL6 btb domain in complex with compound 25A · NQW 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

  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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