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Ligand · 9IE

9IE · 2-chloranyl-4-[[(2S)-2,7-dimethyl-6-oxidanylidene-1,2, 3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile

9IE, 2-chloranyl-4-[[(2S)-2,7-dimethyl-6-oxidanylidene-1,2, 3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile (C20 H18 Cl N5 O2, 395.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
9IE
Formula
C20 H18 Cl N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

9IE in 2 structures; the first of them:

  • 7Q7U · Crystal structure of human BCL6 BTB domain in complex with compound 9a · 9IE A200 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, PHE89, GLN113 and 3 more
  • 7Q7U · Crystal structure of human BCL6 btb domain in complex with compound 9A · 9IE A200 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, PHE89, GLN113 and 3 more

Residues it binds most

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

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