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Ligand · S48

S48 · Methyl N-{(3S)-1-[(1-methyl-1H-imidazol-5-yl)methyl]-6-phenyl-1,2,3,4-tetrahydroquinolin-3-yl}-N-[(1-methyl-1H-imidazol-4-yl)sulfonyl]glycinate

S48, Methyl N-{(3S)-1-[(1-methyl-1H-imidazol-5-yl)methyl]-6-phenyl-1,2,3,4-tetrahydroquinolin-3-yl}-N-[(1-methyl-1H-imidazol-4-yl)sulfonyl]glycinate (C27 H30 N6 O4 S, 534.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
S48
Formula
C27 H30 N6 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

S48 in 2 structures; the first of them:

  • 2IEJ · Human Protein Farnesyltransferase Complexed with Inhibitor Compound STN-48 And FPP Analog… · S48 B943 · binds LYS164, ASN165, TYR166, HIS201, TYR593, LEU596, TRP602, LEU603 and 11 more
  • 2IEJ · Human protein farnesyltransferase complexed with inhibitor compound stn-48 and fpp analog… · S48 B943 · binds LYS164, ASN165, TYR166, HIS201, TYR593, LEU596, TRP602, LEU603 and 11 more

Residues it binds most

TYR 2, ASP 2, TRP 2, HIS 2, LEU 2, ARG 2, ASN 2, CYS 2, LYS 2, PHE 2 (residue and the binding sites it lines).

Found with

  • FII · [(3,7,11-trimethyl-dodeca-2,6,10-trienyloxycarbamoyl)-methyl]-phosphonic acid
  • ZN · Zinc ion
  • FRU · beta-D-fructofuranose
  • GLC · alpha-D-glucopyranose
  • ACT · Acetate ion

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