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Ligand · OFW

OFW · (2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide

OFW, (2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide (C26 H35 N5 O6 S, 545.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
OFW
Formula
C26 H35 N5 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

OFW in 2 structures; the first of them:

  • 6Y7W · Fragment KCL_1337 in complex with MAP kinase p38-alpha · OFW A407 · binds LEU217, THR218, ARG220, LEU222, PHE223, PRO224, LEU234, ARG237 and 7 more
  • 6Y7W · Fragment KCL_1337 in complex with MAP kinase P38-alpha · OFW A407 · binds LEU217, THR218, ARG220, LEU222, LEU234, ARG237, LEU238, MET268 and 4 more

Residues it binds most

LEU 2, ARG 2, PHE 2, ALA 2, ILE 2, MET 2, THR 2, VAL 2, GLY 1, PRO 1 (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

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