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Ligand · IQN

IQN · 1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one

IQN, 1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one (C33 H39 Cl F N7 O2, 620.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
IQN
Formula
C33 H39 Cl F N7 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

IQN in 2 structures; the first of them:

  • 7YCE · KRas G12C in complex with Compound 7b · IQN A204 · binds GLY10, ALA11, CYS12, LYS16, PRO34, THR58, ALA59, GLY60 and 14 more
  • 7YCE · KRAS G12C in complex with compound 7B · IQN A204 · binds GLY10, ALA11, CYS12, LYS16, PRO34, THR58, ALA59, GLY60 and 14 more

Residues it binds most

ALA 2, ARG 2, ASP 2, GLN 2, GLY 2, TYR 2, CYS 2, GLU 2, HIS 2, ILE 2 (residue and the binding sites it lines).

Found with

  • GDP · Guanosine-5'-diphosphate
  • MG · Magnesium ion
  • SO4 · Sulfate ion

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