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Ligand · 9GR

9GR · 2-chloranyl-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile

9GR, 2-chloranyl-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile (C22 H20 Cl N5 O2, 421.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
9GR
Formula
C22 H20 Cl N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

9GR in 2 structures; the first of them:

  • 7Q7V · Crystal structure of human BCL6 BTB domain in complex with compound 12a · 9GR A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, MET114 and 2 more
  • 7Q7V · Crystal structure of human BCL6 btb domain in complex with compound 12A · 9GR 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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