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Ligand · 3EW

3EW · 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide

3EW, 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide (C17 H15 Br Cl F N4 O3, 457.7 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site…

Component
3EW
Formula
C17 H15 Br Cl F N4 O3
Class
ligand
Structures
5
PDB entries
3

Binding sites

3EW in 5 structures; the first of them:

  • 7JUZ · Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor… · 3EW C402 · binds LYS97, LEU115, LEU118, ILE126, VAL127, ILE141, MET143, ASP190 and 9 more
  • 7M0T · Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Selumetinib · 3EW B401 · binds GLY79, GLY80, LYS97, ILE99, LEU115, LEU118, ILE126, VAL127 and 11 more
  • 7JUT · Crystal structure of KSR2:MEK1 in complex with anp-pnp, and allosteric MEK inhibitor… · 3EW C402 · binds LYS97, LEU115, LEU118, VAL127, ILE141, MET143, ASP208, PHE209 and 4 more
  • 7JUZ · Crystal structure of KSR1:MEK1 in complex with AMP-pnp, and allosteric MEK inhibitor… · 3EW C402 · binds LYS97, LEU118, ILE126, VAL127, ILE141, MET143, ASP208, PHE209 and 6 more
  • 7M0T · Crystal structure of the BRAF:MEK1 kinases in complex with amppnp and selumetinib · 3EW B401 · binds GLY79, GLY80, LYS97, ILE99, LEU115, LEU118, VAL127, ILE141 and 9 more

Residues it binds most

ILE 5, LEU 5, VAL 5, GLY 4, MET 5, ASP 5, LYS 5, PHE 5, SER 5, ALA 2 (residue and the binding sites it lines).

Found with

  • ANP · Phosphoaminophosphonic acid-adenylate ester
  • MG · Magnesium ion

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