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Ligand · 2O3

2O3 · (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

2O3, (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (C22 H26 N4 O2, 378.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
2O3
Formula
C22 H26 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

2O3 in 2 structures; the first of them:

  • 4NYW · Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxali… · 2O3 A1202 · binds LEU1109, PRO1110, PHE1111, GLN1113, VAL1115, LEU1120, ILE1122, TYR1125 and 6 more
  • 4NYW · Crystal structure of the bromodomain of human crebbp in complex with a… · 2O3 A1202 · binds LEU1109, PRO1110, PHE1111, GLN1113, VAL1115, LEU1120, ILE1122, TYR1125 and 6 more

Residues it binds most

LEU 2, PHE 2, TYR 2, VAL 2, ALA 2, ARG 2, ASN 2, GLN 2, ILE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • SCN · Thiocyanate ion
  • EDO · 1,2-ethanediol

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