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Ligand · XZG

XZG · (5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl) methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione

XZG, (5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl) methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione (C31 H34 N6 O5, 570.6 g/mol), in the MolNFT structures on GenesisL1…

Component
XZG
Formula
C31 H34 N6 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

XZG in 2 structures; the first of them:

  • 7LH8 · Crystal structure of the first bromodomain of human BRD4 in complex with inhibitor… · XZG A201 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, TYR139 and 4 more
  • 7LH8 · Crystal structure of the first bromodomain of human BRD4 in complex with inhibitor… · XZG 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).

Found with

  • NA · Sodium ion
  • EDO · 1,2-ethanediol

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