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Ligand · CHU

CHU · N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide

CHU, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide (C21 H18 F N5 O5 S, 471.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every…

Component
CHU
Formula
C21 H18 F N5 O5 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

CHU in 2 structures; the first of them:

  • 7M0Z · Crystal structure of the BRAF:MEK1 kinases in complex with amppnp and CH5126766 · CHU B402 · binds ASN660, ASN661, LEU115, LEU118, VAL127, PHE129, ILE141, MET143 and 13 more
  • 7MFD · Autoinhibited BRAF:(14-3-3)2:MEK complex with the braf rbd resolved · CHU B401 · binds LEU118, ILE126, VAL127, ILE141, MET143, ARG189, ASP190, CYS207 and 10 more

Residues it binds most

ILE 2, LEU 2, MET 2, ARG 2, ASP 2, VAL 2, PHE 2, ASN 1, CYS 2, GLY 2 (residue and the binding sites it lines).

Found with

  • ANP · Phosphoaminophosphonic acid-adenylate ester
  • MG · Magnesium ion
  • ZN · Zinc ion
  • SO4 · Sulfate ion

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