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Ligand · 41I

41I · 4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide

41I, 4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide (C17 H12 Cl N3 O3, 341.8 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, the…

Component
41I
Formula
C17 H12 Cl N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

41I in 2 structures; the first of them:

  • 4D0R · Mtb InhA complex with Pyradizi compound 1 · 41I A1271 · binds GLY96, PHE97, MET103, PHE149, ASP150, MET155, TYR158, MET161 and 8 more
  • 4D0R · Mtb inha complex with pyradizinone compound 1 · 41I A1271 · binds GLY96, PHE97, MET103, PHE149, ASP150, MET155, TYR158, MET161 and 8 more

Residues it binds most

MET 2, GLY 2, PHE 2, ALA 2, ASP 2, ILE 2, LEU 2, LYS 2, PRO 2, TRP 2 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide

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