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Ligand · FJI

FJI · 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide

FJI, 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide (C34 H31 F N4 O5, 594.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
FJI
Formula
C34 H31 F N4 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

FJI in 2 structures; the first of them:

  • 5MTX · Dibenzooxepi inhibitor 12b in complex with p38 MAPK · FJI A401 · binds VAL30, VAL38, ALA51, LYS53, GLU71, LEU74, LEU75, ILE84 and 12 more
  • 5MTX · Dibenzooxepinone inhibitor 12B in complex with P38 MAPK · FJI A401 · binds VAL30, ALA51, LYS53, GLU71, LEU74, LEU75, ILE84, LEU104 and 9 more

Residues it binds most

LEU 2, ALA 2, ASP 2, VAL 2, GLU 2, GLY 2, HIS 2, ILE 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

  • BOG · octyl beta-D-glucopyranoside

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