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Ligand · 1NE

1NE · N,N-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzamide

1NE, N,N-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzamide (C17 H18 F3 N3 O, 337.3 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
1NE
Formula
C17 H18 F3 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

1NE in 2 structures; the first of them:

  • 2XX8 · Crystal structure of N,N-dimethyl-4-(3-(trifluoromethyl)-4,5,6,7… · 1NE A310 · binds LYS104, PRO105, PHE106, MET107, SER108, SER217, LYS218, GLY219 and 12 more
  • 2XX8 · Crystal structure of N,N-dimethyl-4-(3-(trifluoromethyl)-4… · 1NE A310 · binds LYS104, PRO105, PHE106, MET107, SER108, SER217, LYS218, GLY219 and 12 more

Residues it binds most

SER 4, LEU 4, LYS 4, GLY 4, MET 4, PHE 4, PRO 4, ILE 2 (residue and the binding sites it lines).

Found with

  • GLU · Glutamic acid
  • ZN · Zinc ion
  • SO4 · Sulfate ion

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