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Ligand · 7TW

7TW · 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid

7TW, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid (C17 H15 N3 O4, 325.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
7TW
Formula
C17 H15 N3 O4
Class
ligand
Structures
4
PDB entries
3

Binding sites

7TW in 4 structures; the first of them:

  • 7RWF · Crystal structure of CDK2 in complex with TW8672 · 7TW A302 · binds LYS33, ILE35, ILE52, LEU55, LEU58, ILE63, VAL64, LEU66 and 13 more
  • 8FOW · Ternary complex of CDK2 with small molecule ligands TW8672 and Dinaciclib · 7TW A304 · binds TYR15, LYS33, ILE35, ILE52, LEU55, LEU58, ILE63, VAL64 and 11 more
  • 8FP0 · Ternary complex of CDK2 with small molecule ligands TW8672 and Roscovitine · 7TW A304 · binds TYR15, LYS33, ILE35, ILE52, LEU55, LEU58, ILE63, VAL64 and 11 more
  • 7RWF · Crystal structure of CDK2 in complex with TW8672 · 7TW A302 · binds LYS33, ILE35, ILE52, LEU55, LEU58, ILE63, VAL64, LEU78 and 8 more

Residues it binds most

LEU 4, ILE 4, PHE 4, VAL 4, ALA 4, ASP 4, CYS 4, LYS 4, TYR 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • 1QK · 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium
  • RRC · R-roscovitine

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