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Ligand · 6XX

6XX · 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one

6XX, 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one (C28 H35 F2 N5 O3, 527.6 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records…

Component
6XX
Formula
C28 H35 F2 N5 O3
Class
ligand
Structures
3
PDB entries
2

Binding sites

6XX in 3 structures; the first of them:

  • 5LJ1 · N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methox… · 6XX A202 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, CYS136, TYR139 and 3 more
  • 5LJ0 · Crystal structure of human ATAD2 bromodomain in complex with 8-(((3R… · 6XX A1205 · binds VAL1008, VAL1013, ASP1014, GLU1017, VAL1018, TYR1063, ASN1064, ASP1068 and 5 more
  • 5LJ1 · N-terminal bromodomain of human BRD4 with 8-(((3R,4R,5S)-3-((4,4… · 6XX A202 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, CYS136, TYR139 and 3 more

Residues it binds most

ASP 3, LEU 3, VAL 3, ASN 3, ILE 3, TYR 3, CYS 2, PHE 2, PRO 2, TRP 2 (residue and the binding sites it lines).

Found with

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

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