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Ligand · HG8

HG8 · (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl) phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one

HG8, (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl) phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one (C29 H38 N6 O2 S, 534.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
HG8
Formula
C29 H38 N6 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

HG8 in 2 structures; the first of them:

  • 6Q3Z · Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k · HG8 A201 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 6 more
  • 6Q3Z · Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16K · HG8 A201 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 6 more

Residues it binds most

LEU 4, TYR 4, ASN 4, ASP 4, CYS 4, GLN 4, ILE 4, PHE 4, PRO 4, TRP 4 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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