Ligand · ML9
ML9 · 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
ML9, 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one (C22 H27 N5 O4, 425.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…
- Component
- ML9
- Formula
- C22 H27 N5 O4
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
ML9 in 4 structures; the first of them:
- 3ML9 · Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure… · ML9 A9999 · binds MET804, TRP812, ILE831, LYS833, ASP836, LEU838, ASP841, TYR867 and 11 more
- 4TV3 · Isolated p110a subunit of PI3Ka provides a platform for structure-based drug design · ML9 A1101 · binds ARG770, MET772, TRP780, ILE800, LYS802, LEU807, ASP810, TYR836 and 12 more
- 3ML9 · Discovery of the highly potent PI3K/MTOR dual inhibitor pf-04691502 through structure… · ML9 A9999 · binds MET804, TRP812, ILE831, LYS833, ASP836, LEU838, ASP841, TYR867 and 11 more
- 4TV3 · Isolated P110A subunit of PI3KA provides a platform for structure- based drug design · ML9 A1101 · binds ARG770, MET772, TRP780, ILE800, LYS802, LEU807, ASP810, TYR836 and 12 more
Residues it binds most
ILE 4, ASP 4, MET 4, LYS 4, VAL 4, GLU 4, LEU 4, PHE 4, THR 4, TRP 4 (residue and the binding sites it lines).
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