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Ligand · OG5

OG5 · (3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide

OG5, (3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide (C29 H35 N5 O5 S, 565.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
OG5
Formula
C29 H35 N5 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

OG5 in 2 structures; the first of them:

  • 6Y81 · Fragment KCL_1088 in complex with MAP kinase p38-alpha · OG5 A412 · binds LEU217, THR218, ARG220, THR221, LEU222, PHE223, LEU234, ARG237 and 7 more
  • 6Y81 · Fragment KCL_1088 in complex with MAP kinase P38-alpha · OG5 A412 · binds LEU217, THR218, ARG220, THR221, LEU222, PHE223, LEU234, ARG237 and 7 more

Residues it binds most

LEU 2, ARG 2, PHE 2, THR 2, ALA 2, GLY 2, ILE 2, MET 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
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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