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Ligand · 0OQ

0OQ · (1R,5S)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

0OQ, (1R,5S)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one (C19 H17 F3 N2 O2, 362.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
0OQ
Formula
C19 H17 F3 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

0OQ in 2 structures; the first of them:

  • 4EH9 · Human p38 MAP kinase in complex with NP-F11 and RL87 · 0OQ A402 · binds ARG67, ARG70, GLU71, LEU74, LEU75, MET78, VAL83, ILE84 and 7 more
  • 4EH9 · Human P38 MAP kinase in complex with np-F11 and RL87 · 0OQ A402 · binds ARG67, ARG70, GLU71, LEU74, LEU75, MET78, VAL83, ILE84 and 7 more

Residues it binds most

ARG 2, LEU 2, ASP 2, ILE 2, GLU 2, HIS 2, MET 2, PHE 2, VAL 2 (residue and the binding sites it lines).

Found with

  • IRG · N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine

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