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Ligand · VY4

VY4 · tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate

VY4, tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate (C24 H34 N8 O3, 482.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
VY4
Formula
C24 H34 N8 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

VY4 in 2 structures; the first of them:

  • 7K6N · Crystal structure of PI3Kalpha selective Inhibitor 11-1575 · VY4 A9001 · binds ARG770, MET772, SER774, TRP780, ILE800, LYS802, ASP805, LEU807 and 15 more
  • 7K6N · Crystal structure of PI3KALPHA selective inhibitor 11-1575 · VY4 A9001 · binds ARG770, MET772, SER774, TRP780, ILE800, LYS802, ASP805, LEU807 and 15 more

Residues it binds most

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

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