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Ligand · F3J

F3J · 11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one

F3J, 11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one (C34 H42 N8 O3, 610.8 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
F3J
Formula
C34 H42 N8 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

F3J in 2 structures; the first of them:

  • 6CIY · Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor… · F3J A201 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, CYS136 and 3 more
  • 6CIY · Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor… · F3J A201 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR139 and 2 more

Residues it binds most

LEU 2, ASN 2, GLN 2, ILE 2, PHE 2, PRO 2, TRP 2, TYR 2, VAL 2, CYS 1 (residue and the binding sites it lines).

Found with

  • NO3 · Nitrate ion
  • EDO · 1,2-ethanediol

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