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Ligand · JAN

JAN · 6-[(S)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1H)-one

JAN, 6-[(S)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1H)-one (C27 H22 Cl2 N4 O, 489.4 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding…

Component
JAN
Formula
C27 H22 Cl2 N4 O
Class
ligand
Structures
8
PDB entries
4

Binding sites

JAN in 8 structures; the first of them:

  • 1SA4 · human protein farnesyltransferase complexed with FPP and R115777 · JAN B441 · binds TYR166, LEU96, SER99, TRP102, TRP106, ARG202, ASP297, CYS299 and 4 more
  • 1X81 · Farnesyl transferase structure of Jansen compound · JAN B1 · binds TYR93, LEU96, TRP102, TRP106, ARG202, ASP297, CYS299, TYR300 and 3 more
  • 3SFX · Cryptococcus neoformans protein farnesyltransferase in complex with FPT-II and tipifarnib · JAN B526 · binds LEU84, SER87, TRP90, TRP94, ARG197, ASP323, CYS325, TYR326 and 3 more
  • 4LNG · Aspergillus fumigatus protein farnesyltransferase complex with farnesyldiphosphate and… · JAN B602 · binds TYR109, LEU147, SER150, TRP153, TRP157, ASP365, CYS367, TYR368 and 3 more
  • 1SA4 · Human protein farnesyltransferase complexed with fpp and R115777 · JAN B441 · binds TYR166, LEU96, SER99, TRP102, TRP106, ARG202, ASP297, CYS299 and 4 more
  • 1X81 · Farnesyl transferase structure of jansen compound · JAN B1 · binds TYR93, LEU96, TRP102, TRP106, ARG202, ASP297, CYS299, TYR300 and 3 more
  • 3SFX · Cryptococcus neoformans protein farnesyltransferase in complex with fpt-II and tipifarnib · JAN B526 · binds LEU84, SER87, TRP90, TRP94, ARG197, ASP323, CYS325, TYR326 and 3 more
  • 4LNG · Aspergillus fumigatus protein farnesyltransferase complex with farnesyldiphosphate and… · JAN B602 · binds TYR109, LEU147, SER150, TRP153, TRP157, ASP365, CYS367, TYR368 and 3 more

Residues it binds most

TYR 8, ASP 8, TRP 8, CYS 8, HIS 8, LEU 8, ARG 6, SER 6 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • FPP · Farnesyl diphosphate
  • 3FX · (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
  • FII · [(3,7,11-trimethyl-dodeca-2,6,10-trienyloxycarbamoyl)-methyl]-phosphonic acid
  • K · Potassium ion
  • FRU · beta-D-fructofuranose
  • GLC · alpha-D-glucopyranose
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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