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Ligand · 9FW

9FW · 2-chloranyl-4-[[(2S)-2,7-dimethyl-5,6-bis(oxidanylidene)-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile

9FW, 2-chloranyl-4-[[(2S)-2,7-dimethyl-5,6-bis(oxidanylidene)-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile (C20 H16 Cl N5 O3, 409.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
9FW
Formula
C20 H16 Cl N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

9FW in 2 structures; the first of them:

  • 7Q7T · Crystal structure of human BCL6 BTB domain in complex with compound 7 · 9FW A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, MET114 and 2 more
  • 7Q7T · Crystal structure of human BCL6 btb domain in complex with compound 7 · 9FW 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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