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Ligand · 9WK

9WK · 4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide

9WK, 4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide (C19 H18 Cl F N4 O, 372.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
9WK
Formula
C19 H18 Cl F N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

9WK in 2 structures; the first of them:

  • 5OIS · InhA (T2A mutant) complexed with 4-((5-Amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(2-chloro… · 9WK B301 · binds GLY96, PHE97, MET98, PRO99, GLN100, MET103, PHE149, TYR158 and 9 more
  • 5OIS · Inha (T2A mutant) complexed with 4-((5-amino-3-methyl-1H-pyrazol-1… · 9WK B301 · binds GLY96, PHE97, MET98, GLN100, MET103, PHE149, MET161, THR196 and 6 more

Residues it binds most

MET 8, ALA 8, PHE 8, GLN 8, GLY 8, ILE 8, LEU 8, THR 8, TYR 5, PRO 4 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide

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