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Ligand · 9IH

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

9IH, 2-chloranyl-4-[[(2S)-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-6-oxidanylidene-2,4-dihydro-1H-[1, 4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile (C22 H18 Cl F2 N5 O2, 457.9 g/mol), in the MolNFT structures on…

Component
9IH
Formula
C22 H18 Cl F2 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

9IH in 2 structures; the first of them:

  • 7Q7R · Crystal structure of human BCL6 BTB domain in complex with compound 1 · 9IH A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, PHE89, GLN113 and 2 more
  • 7Q7R · Crystal structure of human BCL6 btb domain in complex with compound 1 · 9IH A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, PHE89, GLN113 and 2 more

Residues it binds most

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

Found with

  • CL · Chloride ion

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