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Ligand · 19G

19G · 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid

19G, 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid (C20 H19 Cl O3 S, 374.9 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…

Component
19G
Formula
C20 H19 Cl O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

19G in 2 structures; the first of them:

  • 4HW3 · Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based… · 19G A400 · binds ALA227, PHE228, MET231, LEU235, LEU246, VAL249, MET250, VAL253 and 8 more
  • 4HW3 · Discovery of potent mcl-1 inhibitors using fragment-based methods and structure-based… · 19G A400 · binds ALA227, PHE228, MET231, LEU235, LEU246, VAL249, MET250, VAL253 and 8 more

Residues it binds most

LEU 24, PHE 24, VAL 24, MET 24, ARG 24, GLY 24, ILE 24, THR 24, ALA 20, LYS 4 (residue and the binding sites it lines).

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