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Ligand · 4JW

4JW · (2S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide

4JW, (2S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide (C16 H15 N O3, 269.3 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 it…

Component
4JW
Formula
C16 H15 N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

4JW in 2 structures; the first of them:

  • 4YV0 · Crystal structure of Trypanosoma cruzi spermidine synthase in complex with… · 4JW B302 · binds GLU14, MET24, SER25, LEU26, TRP53, ILE63, PRO235, THR236 and 9 more
  • 4YV0 · Crystal structure of trypanosoma cruzi spermidine synthase in complex with… · 4JW B302 · binds GLU14, MET24, SER25, LEU26, TRP53, ILE63, PRO235, THR236 and 9 more

Residues it binds most

GLU 4, MET 4, PRO 4, THR 4, TRP 4, TYR 4, ALA 4, CYS 4, GLN 4, ILE 4 (residue and the binding sites it lines).

Found with

  • S4M · 5'-[(S)-(3-aminopropyl)(methyl)-lambda~4~-sulfanyl]-5'-deoxyadenosine

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