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Ligand · 3OS

3OS · 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide

3OS, 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide (C20 H18 F3 N3 O5, 437.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
3OS
Formula
C20 H18 F3 N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

3OS in 2 structures; the first of them:

  • 3OS3 · Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and MgATP · 3OS A400 · binds ASN78, GLY79, GLY80, LYS97, ILE99, LEU115, LEU118, ILE126 and 15 more
  • 3OS3 · Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and mgatp · 3OS A400 · binds ASN78, GLY79, GLY80, LYS97, ILE99, LEU115, LEU118, ILE126 and 15 more

Residues it binds most

ILE 2, GLY 2, LEU 2, ARG 2, MET 2, PHE 2, SER 2, VAL 2, ASN 2, ASP 2 (residue and the binding sites it lines).

Found with

  • ATP · Adenosine-5'-triphosphate
  • MG · Magnesium ion

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