GL1X · GenesisL1 explorer

Ligand · 3NE

3NE · 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one

3NE, 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one (C14 H7 F6 N3 O, 347.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
3NE
Formula
C14 H7 F6 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3NE in 2 structures; the first of them:

  • 3NEW · p38-alpha complexed with Compound 10 · 3NE A361 · binds PRO191, GLU192, LEU195, ASN196, TRP197, PRO242, LEU246, LYS249 and 8 more
  • 3NEW · P38-alpha complexed with compound 10 · 3NE A361 · binds PRO191, GLU192, LEU195, ASN196, TRP197, PRO242, LEU246, LYS249 and 8 more

Residues it binds most

LEU 2, SER 2, ILE 2, PRO 2, ALA 2, ARG 2, ASN 2, GLU 2, LYS 2, TRP 2 (residue and the binding sites it lines).

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