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Ligand · P5J

P5J · (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl) pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one

P5J, (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl) pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one (C27 H22 N6 O, 446.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site…

Component
P5J
Formula
C27 H22 N6 O
Class
ligand
Structures
2
PDB entries
2

Binding sites

P5J in 2 structures; the first of them:

  • 6PYR · Human PI3KDELTA in complex with compound 2-10 ((3S)-3-benzyl-3-methyl… · P5J A1101 · binds PHE751, MET752, TRP760, ILE777, LYS779, TYR813, ILE825, GLU826 and 7 more
  • 6PYS · Human PI3KALPHA in complex with compound 2-10 ((3S)-3-benzyl-3-methyl… · P5J A1101 · binds MET772, SER774, TRP780, ILE800, LYS802, TYR836, ILE848, GLU849 and 8 more

Residues it binds most

ILE 2, MET 2, ASP 2, SER 2, VAL 2, GLU 2, LYS 2, TRP 2, TYR 2, ASN 1 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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