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Ligand · S30

S30 · 2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one

S30, 2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one (C25 H21 N7 O2, 451.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
S30
Formula
C25 H21 N7 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

S30 in 2 structures; the first of them:

  • 2WXI · The crystal structure of the murine class IA PI 3-kinase p110delta in complex with SW30. · S30 A1500 · binds THR750, PHE751, MET752, PRO758, LEU759, TRP760, ILE777, ASP787 and 13 more
  • 2WXI · The crystal structure of the murine class ia pi 3-kinase P110DELTA in complex with SW30. · S30 A1500 · binds THR750, PHE751, MET752, PRO758, LEU759, TRP760, ILE777, ASP787 and 13 more

Residues it binds most

ASP 2, ILE 2, MET 2, PHE 2, THR 2, VAL 2, ASN 2, GLU 2, LEU 2, PRO 2 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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