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Ligand · VY1

VY1 · (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5, 6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide

VY1, (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5, 6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide (C19 H27 N9 O3 S, 461.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
VY1
Formula
C19 H27 N9 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

VY1 in 2 structures; the first of them:

  • 7K6O · Crystal structure of PI3Kalpha inhibitor 10-5429 · VY1 A9001 · binds ARG770, MET772, SER774, TRP780, ILE800, LYS802, ASP805, LEU807 and 13 more
  • 7K6O · Crystal structure of PI3KALPHA inhibitor 10-5429 · VY1 A9001 · binds ARG770, MET772, SER774, TRP780, ILE800, LYS802, ASP805, LEU807 and 13 more

Residues it binds most

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

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