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Ligand · 3RW

3RW · [4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[2-(pyridin-3-yl)ethyl]amino}pyrazin-2-yl)methanone

3RW, [4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[2-(pyridin-3-yl)ethyl]amino}pyrazin-2-yl)methanone (C21 H22 N8 O, 402.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
3RW
Formula
C21 H22 N8 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3RW in 2 structures; the first of them:

  • 3RWQ · Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent… · 3RW A1 · binds LEU88, GLY89, GLU90, GLY91, SER94, VAL96, ALA109, LYS111 and 12 more
  • 3RWQ · Discovery of a novel, potent and selective inhibitor of 3- phosphoinositide dependent… · 3RW A1 · binds LEU88, GLY89, GLU90, GLY91, SER94, VAL96, ALA109, LYS111 and 12 more

Residues it binds most

GLU 2, LEU 2, ALA 2, GLY 2, SER 2, VAL 2, ASN 2, ASP 2, LYS 2, THR 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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