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Ligand · 6T5

6T5 · 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one

6T5, 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one (C13 H16 N4 O, 244.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
6T5
Formula
C13 H16 N4 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

6T5 in 4 structures; the first of them:

  • 5KH9 · Crystal structure of a low occupancy fragment candidate… · 6T5 A1305 · binds TRP1143, ARG1155, TRP1182, TYR1189
  • 5R9T · PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13477a in… · 6T5 A401 · binds PRO191, GLU192, TRP197, MET198, LEU232, PRO242, LEU246, LYS249 and 7 more
  • 5KH9 · Crystal structure of a low occupancy fragment candidate (5-[(4… · 6T5 A1305 · binds TRP1143, ARG1155, TRP1182, TYR1189
  • 5R9T · Pandda analysis group deposition FORM1 MAP kinase P38-alpha -- fragment N13477A in… · 6T5 A401 · binds PRO191, TRP197, MET198, PRO242, LEU246, LYS249, ILE250, SER251 and 3 more

Residues it binds most

TRP 4, ILE 2, LEU 2, PRO 2, SER 2, ASP 2, ARG 2, LYS 2, MET 2, TYR 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • NA · Sodium ion
  • ZN · Zinc ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • UNX · Unknown atom or ion
  • FMT · Formic acid

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