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Ligand · YEJ

YEJ · 8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one

YEJ, 8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one (C20 H28 N4 O4 S, 420.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
YEJ
Formula
C20 H28 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

YEJ in 2 structures; the first of them:

  • 5A82 · Crystal structure of human ATAD2 bromodomain in complex with 4-(3R,4R)… · YEJ A2112 · binds ARG1007, VAL1008, VAL1013, GLU1017, VAL1018, TYR1021, ALA1060, TYR1063 and 7 more
  • 5A82 · Crystal structure of human ATAD2 bromodomain in complex with… · YEJ A2112 · binds ARG1007, VAL1008, VAL1013, GLU1017, VAL1018, TYR1021, ALA1060, TYR1063 and 7 more

Residues it binds most

VAL 2, ARG 2, ASP 2, TYR 2, ALA 2, ASN 2, GLU 2, GLY 2, ILE 2, LEU 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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