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Ligand · J30

J30 · 4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol

J30, 4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol (C19 H24 N2 O S, 328.5 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
J30
Formula
C19 H24 N2 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

J30 in 2 structures; the first of them:

  • 3OTU · PDK1 mutant bound to allosteric disulfide fragment activator JS30 · J30 A1 · binds LYS115, ILE119, VAL124, THR128, ARG131, CYS148, PHE149, GLN150 and 2 more
  • 3OTU · PDK1 mutant bound to allosteric disulfide fragment activator JS30 · J30 A1 · binds LYS115, ILE119, VAL124, THR128, ARG131, CYS148, PHE149, GLN150 and 2 more

Residues it binds most

ARG 2, CYS 2, GLN 2, ILE 2, LEU 2, LYS 2, PHE 2, THR 2, TYR 2, VAL 2 (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
  • CL · Chloride ion
  • SO4 · Sulfate ion

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