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Ligand · EJ3

EJ3 · 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid

EJ3, 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid (C23 H19 F N4 O5, 450.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
EJ3
Formula
C23 H19 F N4 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

EJ3 in 2 structures; the first of them:

  • 7XIJ · Crystal structure of CBP bromodomain liganded with Y08175 · EJ3 A1201 · binds LEU1109, PRO1110, PHE1111, GLN1113, VAL1115, LEU1119, LEU1120, ILE1122 and 5 more
  • 7XIJ · Crystal structure of cbp bromodomain liganded with Y08175 · EJ3 A1201 · binds LEU1109, PRO1110, PHE1111, GLN1113, VAL1115, LEU1119, LEU1120, ILE1122 and 5 more

Residues it binds most

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

Found with

  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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