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Ligand · 579

579 · 4-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide

579, 4-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide (C20 H24 F N3 O5 S, 437.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
579
Formula
C20 H24 F N3 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

579 in 2 structures; the first of them:

  • 5D3S · First bromodomain of BRD4 bound to inhibitor XD44 · 579 A201 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 4 more
  • 5D3S · First bromodomain of BRD4 bound to inhibitor XD44 · 579 A201 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 4 more

Residues it binds most

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

Found with

  • BU3 · (R,R)-2,3-butanediol
  • DMS · Dimethyl sulfoxide

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