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Ligand · 1GH

1GH · 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-(pyridin-2-yl)ethyl]-1H,2H,3H-imidazo[4,5-c]quinolin-2-one

1GH, 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-(pyridin-2-yl)ethyl]-1H,2H,3H-imidazo[4,5-c]quinolin-2-one (C23 H21 N5 O3, 415.4 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (4 PDB entries). Every binding…

Component
1GH
Formula
C23 H21 N5 O3
Class
ligand
Structures
7
PDB entries
4

Binding sites

1GH in 7 structures; the first of them:

  • 3ZYU · Crystal Structure of the first bromodomain of human BRD4 in complex with… · 1GH A1173 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 6 more
  • 4ALG · N-Terminal Bromodomain of Human BRD2 With IBET-151 · 1GH A1146 · binds TRP51, PRO52, PHE53, GLN55, VAL57, LEU62, LEU64, TYR67 and 6 more
  • 4PKL · Bromodomain of Trypanosoma brucei BDF2 With IBET-151 · 1GH A201 · binds LEU28, GLY29, MET30, VAL35, GLU39, LEU40, TYR85, ASN86 and 1 more
  • 8R6M · Crystal structure of Candida glabrata Bdf1 bromodomain 2 bound to I-BET151 · 1GH A511 · binds PRO328, PHE329, VAL333, LEU338, CYS340, TYR343, PHE385, ASN386 and 7 more
  • 3ZYU · Crystal structure of the first bromodomain of human BRD4 in complex with… · 1GH A1173 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 6 more
  • 4ALG · N-terminal bromodomain of human BRD2 with ibet-151 · 1GH A1146 · binds TRP51, PRO52, PHE53, GLN55, VAL57, LEU62, LEU64, TYR67 and 6 more
  • 4PKL · Bromodomain of trypanosoma brucei BDF2 with ibet-151 · 1GH A201 · binds LEU28, GLY29, MET30, VAL35, GLU39, LEU40, TYR85, ASN86 and 1 more

Residues it binds most

LEU 14, TYR 14, VAL 14, MET 14, ASN 14, PHE 10, PRO 10, TRP 10, CYS 10, ILE 10 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • K · Potassium ion
  • CL · Chloride ion
  • PO4 · Phosphate ion
  • ACT · Acetate ion
  • EDO · 1,2-ethanediol
  • SO4 · Sulfate ion

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