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Ligand · 2A2

2A2 · 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol

2A2, 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol (C14 H19 Cl N2 O S, 298.8 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
2A2
Formula
C14 H19 Cl N2 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2A2 in 2 structures; the first of them:

  • 3ORZ · PDK1 mutant bound to allosteric disulfide fragment activator 2A2 · 2A2 A1 · binds LYS115, ILE118, ILE119, VAL124, VAL127, THR128, ARG131, CYS148 and 3 more
  • 3ORZ · PDK1 mutant bound to allosteric disulfide fragment activator 2A2 · 2A2 A1 · binds LYS115, ILE118, ILE119, VAL124, VAL127, THR128, ARG131, CYS148 and 3 more

Residues it binds most

ILE 8, VAL 8, LYS 8, ARG 8, CYS 8, GLN 8, LEU 8, PHE 8, THR 8 (residue and the binding sites it lines).

Found with

  • BI4 · 3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione

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