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Ligand · ML8

ML8 · 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one

ML8, 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one (C21 H24 N4 O2, 364.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
ML8
Formula
C21 H24 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

ML8 in 2 structures; the first of them:

  • 3ML8 · Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure… · ML8 A9999 · binds MET804, TRP812, ILE831, LYS833, ASP836, LEU838, ASP841, LEU845 and 12 more
  • 3ML8 · Discovery of the highly potent PI3K/MTOR dual inhibitor pf-04691502 through structure… · ML8 A9999 · binds MET804, TRP812, ILE831, LYS833, ASP836, LEU838, ASP841, LEU845 and 12 more

Residues it binds most

ILE 2, ASP 2, LEU 2, MET 2, PHE 2, ALA 2, GLU 2, LYS 2, THR 2, TRP 2 (residue and the binding sites it lines).

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