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Ligand · 1EK

1EK · {[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

1EK, {[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (C18 H12 Cl N3 O2 S2, 401.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
1EK
Formula
C18 H12 Cl N3 O2 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1EK in 2 structures; the first of them:

  • 4IJL · Fragment-based Discovery of Protein-Protein Interaction Inhibitors of Replication Protein… · 1EK A201 · binds ARG41, ALA59, THR60, ILE83, ASN85, THR86, LEU87, ILE95 and 1 more
  • 4IJL · Fragment-based discovery of protein-protein interaction inhibitors of replication protein… · 1EK A201 · binds ARG41, ALA59, THR60, ILE83, ASN85, THR86, LEU87, ILE95 and 1 more

Residues it binds most

ARG 4, ILE 4, LEU 4, MET 4, SER 2, THR 2, ALA 2, ASN 2, VAL 2 (residue and the binding sites it lines).

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