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Ligand · VKG

VKG · N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6, 8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)-N'-methylsulfuric diamide

VKG, N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6, 8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)-N'-methylsulfuric diamide (C25 H24 F I N6 O5 S, 666.5 g/mol), in the MolNFT structures on…

Component
VKG
Formula
C25 H24 F I N6 O5 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

VKG in 4 structures; the first of them:

  • 7JUV · Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor… · VKG C402 · binds PRO878, LYS97, LEU115, LEU118, VAL127, ILE141, MET143, HIS188 and 11 more
  • 7JV1 · Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor… · VKG C402 · binds GLN824, ALA825, LYS97, LEU118, VAL127, ILE141, ARG189, ASP190 and 10 more
  • 7JUV · Crystal structure of KSR2:MEK1 in complex with AMP-pnp, and allosteric MEK inhibitor… · VKG C402 · binds PRO878, LYS97, LEU115, LEU118, VAL127, ILE141, MET143, ARG189 and 9 more
  • 7JV1 · Crystal structure of KSR1:MEK1 in complex with AMP-pnp, and allosteric MEK inhibitor… · VKG C402 · binds GLN824, ALA825, LEU118, VAL127, ARG189, ASP190, ASP208, PHE209 and 6 more

Residues it binds most

LEU 4, ARG 4, ASP 4, VAL 4, ILE 4, SER 4, GLY 4, PHE 4, LYS 3, ALA 2 (residue and the binding sites it lines).

Found with

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

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