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Ligand · 99O

99O · 1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one

99O, 1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one (C18 H20 N2 O4 S, 360.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
99O
Formula
C18 H20 N2 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

99O in 2 structures; the first of them:

  • 5Z8R · BRD4 Bromodomain 1 with an inhibitor · 99O A201 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, TYR139 and 4 more
  • 5Z8R · BRD4 bromodomain 1 with an inhibitor · 99O A201 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, TYR139 and 4 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).

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