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Ligand · 4OW

4OW · N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl) anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide

4OW, N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl) anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide (C27 H34 Cl F N6 O2 S, 561.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
4OW
Formula
C27 H34 Cl F N6 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

4OW in 2 structures; the first of them:

  • 7REL · Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual… · 4OW A202 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, CYS136 and 5 more
  • 7REL · Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual… · 4OW A202 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR139, ASN140 and 3 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol

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