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Ligand · OFQ

OFQ · (2-azanyl-2-adamantyl)methanol

OFQ, (2-azanyl-2-adamantyl)methanol (C11 H19 N O, 181.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
OFQ
Formula
C11 H19 N O
Class
ligand
Structures
4
PDB entries
2

Binding sites

OFQ in 4 structures; the first of them:

  • 6Y7X · Fragment KCL_771 in complex with MAP kinase p38-alpha · OFQ A407 · binds ARG220, THR221, LEU222, PHE223, LEU234, ARG237, LEU238, MET268 and 1 more
  • 6Y7Y · Fragments KCL_771 and KCL_802 in complex with MAP kinase p38-alpha · OFQ A407 · binds THR221, LEU222, PHE223, LEU234, ARG237, LEU238, MET268, VAL273
  • 6Y7X · Fragment KCL_771 in complex with MAP kinase P38-alpha · OFQ A407 · binds LEU222, LEU234, ARG237, LEU238, MET268
  • 6Y7Y · Fragments KCL_771 and KCL_802 in complex with MAP kinase P38-alpha · OFQ A407 · binds LEU222, LEU234, ARG237, LEU238, MET268

Residues it binds most

LEU 4, ARG 4, MET 4, PHE 2, THR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • SB4 · 4-(4-fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole
  • CA · Calcium ion
  • CL · Chloride ion
  • LOT · 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide

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