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Ligand · 4Q2

4Q2 · (2S,3R)-N~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4, 5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide

4Q2, (2S,3R)-N~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4, 5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide (C20 H26 N6 O2 S, 414.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
4Q2
Formula
C20 H26 N6 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

4Q2 in 2 structures; the first of them:

  • 4ZOP · Co-crystal Structure of Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3… · 4Q2 A1101 · binds MET772, TRP780, ILE800, LYS802, TYR836, ILE848, GLU849, VAL850 and 10 more
  • 4ZOP · Co-crystal structure of lipid kinase PI3K alpha with a selective phosphatidylinositol-3… · 4Q2 A1101 · binds MET772, TRP780, ILE800, LYS802, TYR836, ILE848, GLU849, VAL850 and 10 more

Residues it binds most

ILE 2, MET 2, VAL 2, ARG 2, ASN 2, ASP 2, GLN 2, GLU 2, HIS 2, LYS 2 (residue and the binding sites it lines).

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