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Ligand · CHI

CHI · 5-chloro-1H-indole-2-carboxylic acid [1-(4-fluorobenzyl)-2-(4-hydroxypiperidin-1YL)-2-oxoethyl]amide

CHI, 5-chloro-1H-indole-2-carboxylic acid [1-(4-fluorobenzyl)-2-(4-hydroxypiperidin-1YL)-2-oxoethyl]amide (C23 H23 Cl F N3 O3, 443.9 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with…

Component
CHI
Formula
C23 H23 Cl F N3 O3
Class
ligand
Structures
6
PDB entries
3

Binding sites

CHI in 6 structures; the first of them:

  • 1C50 · Identification and structural characterization of a novel allosteric binding site of… · CHI A920 · binds ARG60, LEU63, VAL64, TRP67, PRO188, TRP189, GLU190, LYS191 and 2 more
  • 1H5U · The 1.76 a resolution crystal structure of glycogen phosphorylase B complexed with… · CHI A920 · binds ARG60, LEU63, VAL64, TRP67, PRO188, TRP189, GLU190, LYS191 and 2 more
  • 1LWO · Crystal structure of rabbit muscle glycogen phosphorylase a in complex with a potential… · CHI A920 · binds ARG60, LEU63, VAL64, TRP67, PRO188, TRP189, GLU190, LYS191 and 2 more
  • 1C50 · Identification and structural characterization of a novel allosteric binding site of… · CHI A920 · binds ARG60, LEU63, VAL64, TRP67, PRO188, TRP189, GLU190, LYS191 and 2 more
  • 1H5U · The 1.76 a resolution crystal structure of glycogen phosphorylase B complexed with… · CHI A920 · binds ARG60, LEU63, VAL64, TRP67, PRO188, TRP189, GLU190, LYS191 and 2 more
  • 1LWO · Crystal structure of rabbit muscle glycogen phosphorylase a in complex with a potential… · CHI A920 · binds ARG60, LEU63, VAL64, TRP67, PRO188, TRP189, GLU190, LYS191 and 2 more

Residues it binds most

PRO 6, TRP 6, ALA 6, ARG 6, GLU 6, LEU 6, LYS 6, VAL 6 (residue and the binding sites it lines).

Found with

  • PLP · Pyridoxal-5'-phosphate
  • GLC · alpha-D-glucopyranose

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