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Ligand · GD9

GD9 · 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine

GD9, 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (C23 H27 N7 O3 S2, 513.6 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site…

Component
GD9
Formula
C23 H27 N7 O3 S2
Class
ligand
Structures
6
PDB entries
3

Binding sites

GD9 in 6 structures; the first of them:

  • 2WXP · The crystal structure of the murine class IA PI 3-kinase p110delta in complex with… · GD9 A1500 · binds LYS708, PHE751, MET752, ASP753, TRP760, ILE777, LYS779, ASP787 and 12 more
  • 2Y3A · Crystal structure of p110beta in complex with icSH2 of p85beta and the drug GDC-0941 · GD9 A2058 · binds LYS771, TYR772, MET773, ASP774, ILE797, LYS799, LEU804, ASP807 and 11 more
  • 3DBS · Structure of PI3K gamma in complex with GDC0941 · GD9 A1 · binds LYS802, MET804, ALA805, TRP812, ILE831, LYS833, ASP836, LEU838 and 11 more
  • 2WXP · The crystal structure of the murine class ia pi 3-kinase P110DELTA in complex with… · GD9 A1500 · binds LYS708, PHE751, MET752, ASP753, TRP760, ILE777, LYS779, ASP787 and 12 more
  • 2Y3A · Crystal structure of P110BETA in complex with ICSH2 of P85BETA and the drug gdc-0941 · GD9 A2058 · binds LYS771, TYR772, MET773, ASP774, ILE797, LYS799, LEU804, ASP807 and 11 more
  • 3DBS · Structure of PI3K gamma in complex with GDC0941 · GD9 A1 · binds LYS802, MET804, ALA805, TRP812, ILE831, LYS833, ASP836, LEU838 and 11 more

Residues it binds most

ASP 6, ILE 6, LYS 6, MET 6, VAL 6, PHE 6, TYR 6, GLU 6, LEU 4, SER 4 (residue and the binding sites it lines).

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