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Ligand · RW3

RW3 · N-[6-(4-amino-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide

RW3, N-[6-(4-amino-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide (C29 H28 N10 O S, 564.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
RW3
Formula
C29 H28 N10 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

RW3 in 2 structures; the first of them:

  • 2WXJ · The crystal structure of the murine class IA PI 3-kinase p110delta in complex with INK654. · RW3 A1500 · binds PHE751, MET752, PRO758, LEU759, TRP760, ILE777, LYS779, ASP782 and 13 more
  • 2WXJ · The crystal structure of the murine class ia pi 3-kinase P110DELTA in complex with INK654. · RW3 A1500 · binds PHE751, MET752, PRO758, LEU759, TRP760, ILE777, LYS779, ASP782 and 13 more

Residues it binds most

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

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