GL1X · GenesisL1 explorer

Ligand · VBS

VBS · (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one

VBS, (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one (C28 H25 N7 O, 475.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
VBS
Formula
C28 H25 N7 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

VBS in 4 structures; the first of them:

  • 7JIS · Human PI3KDELTA in complex with compound 2F · VBS A1101 · binds LYS708, THR750, PHE751, MET752, TRP760, ILE777, LYS779, LEU784 and 14 more
  • 7JIU · Human PI3KDELTA in complex with compound 2F · VBS A1101 · binds ARG770, MET772, TRP780, ILE800, LYS802, TYR836, ILE848, GLU849 and 8 more
  • 7JIS · Human PI3KDELTA in complex with compound 2F · VBS A1101 · binds PHE751, MET752, TRP760, ILE777, LYS779, TYR813, ILE825, GLU826 and 8 more
  • 7JIU · Human PI3KDELTA in complex with compound 2F · VBS A1101 · binds ARG770, MET772, TRP780, ILE800, LYS802, TYR836, ILE848, GLU849 and 5 more

Residues it binds most

ILE 4, MET 4, VAL 4, ASP 3, LYS 4, GLU 4, PHE 3, SER 4, TRP 4, TYR 4 (residue and the binding sites it lines).

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