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Ligand · 19H

19H · 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid

19H, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid (C20 H19 Cl2 N O3, 392.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…

Component
19H
Formula
C20 H19 Cl2 N O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

19H in 4 structures; the first of them:

  • 4HW2 · Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based… · 19H A401 · binds ALA227, PHE228, MET231, LEU235, LEU246, VAL249, MET250, VAL253 and 7 more
  • 4WMU · STRUCTURE OF MBP-MCL1 BOUND TO ligand 2 AT 1.55A · 19H A402 · binds ALA227, PHE228, MET231, LEU235, LEU246, VAL249, MET250, VAL253 and 8 more
  • 4HW2 · Discovery of potent mcl-1 inhibitors using fragment-based methods and structure-based… · 19H A401 · binds ALA227, PHE228, MET231, LEU235, LEU246, VAL249, MET250, VAL253 and 7 more
  • 4WMU · Structure of mbp-MCL1 bound to ligand 2 at 1.55A · 19H A402 · binds ALA227, PHE228, MET231, LEU235, LEU246, VAL249, MET250, VAL253 and 8 more

Residues it binds most

LEU 14, PHE 14, MET 14, VAL 14, ARG 14, THR 14, ALA 14, GLY 14, ILE 14, LYS 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • MG · Magnesium ion
  • NA · Sodium ion
  • GLC · alpha-D-glucopyranose
  • FMT · Formic acid
  • PGE · Triethylene glycol

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