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Ligand · 1E7

1E7 · 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid

1E7, 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid (C15 H13 Cl N2 O4 S, 352.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
1E7
Formula
C15 H13 Cl N2 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1E7 in 2 structures; the first of them:

  • 4I9U · Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256 · 1E7 A401 · binds VAL25, GLY26, VAL50, ASP51, VAL52, TYR82, ALA95, GLY96 and 6 more
  • 4I9U · Crystal structure of rabbit ldha in complex with a fragment inhibitor AP26256 · 1E7 A401 · binds VAL25, GLY26, VAL50, ASP51, VAL52, TYR82, ALA95, GLY96 and 6 more

Residues it binds most

VAL 16, ALA 16, GLY 16, ILE 16, ARG 16, ASN 16, ASP 16, PHE 16, TYR 2 (residue and the binding sites it lines).

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