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Ligand · 2H2

2H2 · 4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-N-(3,3,3-trifluoropropyl)benzamide

2H2, 4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-N-(3,3,3-trifluoropropyl)benzamide (C19 H17 F3 N2 O3 S, 410.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
2H2
Formula
C19 H17 F3 N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2H2 in 2 structures; the first of them:

  • 4M3D · Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis… · 2H2 A301 · binds LEU87, LEU90, MET102, TRP103, GLY106, ILE107, PHE110, PHE114 and 13 more
  • 4M3D · Rapid and efficient design of new inhibitors of mycobacterium tuberculosis… · 2H2 A301 · binds LEU87, LEU90, MET102, TRP103, GLY106, ILE107, PHE110, PHE114 and 13 more

Residues it binds most

TRP 2, LEU 2, PHE 2, ASN 2, GLU 2, MET 2, GLY 2, ILE 2, THR 2, TYR 2 (residue and the binding sites it lines).

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