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Ligand · IQC

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

IQC, 1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl) amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one (C32 H38 Cl F N8 O, 605.2 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
IQC
Formula
C32 H38 Cl F N8 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

IQC in 2 structures; the first of them:

  • 7YCC · KRas G12C in complex with Compound 5c · IQC A203 · binds VAL9, GLY10, CYS12, LYS16, PRO34, THR58, ALA59, GLY60 and 12 more
  • 7YCC · KRAS G12C in complex with compound 5C · IQC A203 · binds VAL9, GLY10, CYS12, LYS16, PRO34, THR58, ALA59, GLY60 and 12 more

Residues it binds most

ASP 6, GLN 6, GLY 6, VAL 6, ARG 6, LYS 6, ALA 6, CYS 6, GLU 6, HIS 6 (residue and the binding sites it lines).

Found with

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

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