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Ligand · ESX

ESX · Benzo[b]thiophene-2-carboxamidine

ESX, Benzo[b]thiophene-2-carboxamidine (C9 H9 N2 S +1, 177.2 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 binds most and the ligands…

Component
ESX
Formula
C9 H9 N2 S +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

ESX in 2 structures; the first of them:

  • 1C5S · Structural basis for selectivity of a small molecule, S1-binding, sub-micromolar… · ESX A246 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214, TRP215 and 6 more
  • 1C5S · Structural basis for selectivity of a small molecule, S1-binding, sub- micromolar… · ESX A246 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214, TRP215 and 6 more

Residues it binds most

SER 2, GLY 2, CYS 2, ASP 2, GLN 2, TRP 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion

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