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Ligand · D89

D89 · 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4H-pyrrolo[1,2-a]pyrazin-1-one

D89, 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4H-pyrrolo[1,2-a]pyrazin-1-one (C22 H19 F2 N3 O4 S, 459.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
D89
Formula
C22 H19 F2 N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

D89 in 2 structures; the first of them:

  • 6KEG · BRD4 Bromodomain1 with an inhibitor · D89 A201 · binds TRP81, PRO82, PHE83, GLN85, PRO86, VAL87, ASP88, LEU92 and 7 more
  • 6KEG · BRD4 BROMODOMAIN1 with an inhibitor · D89 A201 · binds TRP81, PRO82, PHE83, GLN85, PRO86, VAL87, ASP88, LEU92 and 7 more

Residues it binds most

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

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