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Ligand · G3J

G3J · 1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one

G3J, 1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one (C21 H21 Cl N4 O, 380.9 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site…

Component
G3J
Formula
C21 H21 Cl N4 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

G3J in 3 structures; the first of them:

  • 6DBC · Second bromodomain of Human BRD2 with a Tetrahydroquinoline analogue · G3J A508 · binds TRP370, PRO371, PHE372, VAL376, LEU381, LEU383, TYR386, CYS425 and 6 more
  • 6DB0 · N-terminal bromodomain of human BRD2 with a tetrahydroquinoline analogue · G3J A302 · binds TRP97, PRO98, PHE99, GLN101, VAL103, LYS107, LEU108, LEU110 and 3 more
  • 6DBC · Second bromodomain of human BRD2 with a tetrahydroquinoline analogue · G3J A508 · binds TRP370, PRO371, PHE372, VAL376, LEU381, LEU383, CYS425, ASN429 and 3 more

Residues it binds most

LEU 4, VAL 4, ASN 4, PHE 4, PRO 4, TRP 4, TYR 2, CYS 2, HIS 2, ILE 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • SO4 · Sulfate ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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