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Ligand · 7IS

7IS · N-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzamide

7IS, N-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzamide (C18 H12 Cl F3 N4 O, 392.8 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…

Component
7IS
Formula
C18 H12 Cl F3 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

7IS in 2 structures; the first of them:

  • 7VKA · Crystal Structure of GH3.6 in complex with an inhibitor · 7IS A702 · binds TYR134, LEU137, VAL174, LEU175, TYR178, TYR179, HIS183, PHE184 and 12 more
  • 7VKA · Crystal structure of GH3.6 in complex with an inhibitor · 7IS A702 · binds TYR134, LEU175, TYR178, TYR179, HIS183, PHE184, THR193, TYR195 and 6 more

Residues it binds most

TYR 4, SER 4, LEU 4, PHE 4, VAL 4, THR 4, ALA 4, HIS 4, ILE 4, MET 4 (residue and the binding sites it lines).

Found with

  • AMP · Adenosine monophosphate
  • GOL · Glycerol

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