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Ligand · Q6K

Q6K · ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide

Q6K, ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide (C28 H35 N7 O2, 501.6 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (4 PDB entries). Every…

Component
Q6K
Formula
C28 H35 N7 O2
Class
ligand
Structures
7
PDB entries
4

Binding sites

Q6K in 7 structures; the first of them:

  • 6XL4 · EGFR(T790M/V948R) in complex with AZD9291 and DDC4002 · Q6K A1301 · binds LEU718, GLY719, PHE723, VAL726, ALA743, MET790, GLN791, LEU792 and 9 more
  • 6Z4B · Crystal Structure of EGFR-T790M/V948R in Complex with Osimertinib and EAI045 · Q6K A1101 · binds VAL717, LEU718, GLY719, SER720, GLY721, VAL726, ALA743, LYS745 and 11 more
  • 7LGS · Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib. · Q6K A1101 · binds LEU718, GLY719, PHE723, VAL726, ALA743, GLN794, LEU795, MET796 and 9 more
  • 8GK5 · EGFR(T790M/V948R) kinase in complex with osimertinib and benzimidazole allosteric… · Q6K A1101 · binds LEU718, GLY719, SER720, GLY721, VAL726, ALA743, LYS745, MET790 and 13 more
  • 6XL4 · EGFR(T790M/V948R) in complex with AZD9291 and DDC4002 · Q6K A1301 · binds LEU718, GLY719, PHE723, VAL726, ALA743, MET790, GLN791, LEU792 and 9 more
  • 6Z4B · Crystal structure of EGFR-T790M/V948R in complex with osimertinib and EAI045 · Q6K A1101 · binds VAL717, LEU718, GLY719, SER720, GLY721, VAL726, ALA743, LYS745 and 11 more
  • 7LGS · Structure of EGFR_D770_N771INSNPG/V948R in complex with covalent inhibitor osimertinib. · Q6K A1101 · binds LEU718, GLY719, PHE723, VAL726, ALA743, GLN794, LEU795, MET796 and 9 more

Residues it binds most

LEU 20, GLY 20, ASP 20, MET 20, VAL 20, ALA 20, ARG 20, CYS 20, GLN 20, PHE 14 (residue and the binding sites it lines).

Found with

  • 9LL · (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
  • ANP · Phosphoaminophosphonic acid-adenylate ester
  • NQ1 · 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1, 4]diazepin-11-one
  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • CIT · Citric acid
  • EDO · 1,2-ethanediol
  • YW5 · 2-[(R)-(1H-benzimidazol-2-yl)(3-fluorophenyl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-2,3-dihydro-1H-isoindol-1-one

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