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Ligand · 1E4

1E4 · 1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol

1E4, 1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol (C33 H31 Cl F N3 O12 S, 748.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
1E4
Formula
C33 H31 Cl F N3 O12 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1E4 in 2 structures; the first of them:

  • 4I9H · Crystal structure of rabbit LDHA in complex with AP28669 · 1E4 A401 · binds VAL25, GLY26, VAL27, GLY28, ALA29, VAL30, VAL50, ASP51 and 21 more
  • 4I9H · Crystal structure of rabbit ldha in complex with AP28669 · 1E4 A401 · binds VAL25, GLY26, VAL27, GLY28, ALA29, VAL30, VAL50, ASP51 and 21 more

Residues it binds most

VAL 16, ILE 16, ALA 16, GLY 16, ARG 16, ASN 16, THR 16, ASP 16, LEU 16, PHE 16 (residue and the binding sites it lines).

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