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Ligand · A06

A06 · (3S)-4-(5-chloro-1H-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid

A06, (3S)-4-(5-chloro-1H-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid (C17 H14 Cl2 N2 O2, 349.2 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…

Component
A06
Formula
C17 H14 Cl2 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

A06 in 2 structures; the first of them:

  • 4A06 · Human PDK1 Kinase Domain in Complex with Allosteric Activator PS114 Bound to the… · A06 A600 · binds LYS115, ILE118, ILE119, VAL124, VAL127, ARG131, THR148, PHE149 and 4 more
  • 4A06 · Human PDK1 kinase domain in complex with allosteric activator PS114 bound to the… · A06 A600 · binds LYS115, ILE118, ILE119, VAL124, VAL127, ARG131, THR148, PHE149 and 4 more

Residues it binds most

ILE 2, PHE 2, VAL 2, ARG 2, GLN 2, LEU 2, LYS 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • ATP · Adenosine-5'-triphosphate
  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide

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