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Ligand · 59T

59T · 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino) pyrido[2,3-d]pyrimidin-7(8H)-one

59T, 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino) pyrido[2,3-d]pyrimidin-7(8H)-one (C25 H25 Cl N6 O3, 493.0 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
59T
Formula
C25 H25 Cl N6 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

59T in 4 structures; the first of them:

  • 7B30 · MST3 in complex with compound G-5555 · 59T A401 · binds ILE42, LYS44, SER46, PHE47, VAL50, ALA63, ILE64, LYS65 and 15 more
  • 7B36 · MST4 in complex with compound G-5555 · 59T A703 · binds ILE30, VAL38, ALA51, ILE52, LYS53, ILE55, ILE67, GLU70 and 12 more
  • 7B30 · MST3 in complex with compound G-5555 · 59T A401 · binds ILE42, SER46, PHE47, VAL50, ALA63, LYS65, ILE67, ILE79 and 12 more
  • 7B36 · MST4 in complex with compound G-5555 · 59T A703 · binds ILE30, VAL38, ALA51, LYS53, ILE55, ILE67, GLU70, ILE71 and 10 more

Residues it binds most

ILE 6, LEU 6, ALA 6, GLU 6, LYS 6, ASN 6, ASP 6, MET 6, TYR 6, VAL 6 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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