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Ligand · 80E

80E · 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl) benzoic acid

80E, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl) benzoic acid (C19 H18 N2 O4, 338.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
80E
Formula
C19 H18 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

80E in 2 structures; the first of them:

  • 7RXO · Crystal structure of CDK2 liganded with compound WN333 · 80E A302 · binds LYS33, ILE35, ILE52, LEU55, LEU58, ILE63, VAL64, LEU66 and 10 more
  • 7RXO · Crystal structure of CDK2 liganded with compound WN333 · 80E A302 · binds LYS33, ILE35, ILE52, LEU55, LEU58, ILE63, VAL64, LEU78 and 7 more

Residues it binds most

LEU 2, ILE 2, PHE 2, VAL 2, ALA 2, ASP 2, CYS 2, LYS 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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