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Ligand · F17

F17 · N-{[4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]acetyl}-L-phenylalanyl-4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)-L-phenylalaninamide

F17, N-{[4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]acetyl}-L-phenylalanyl-4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)-L-phenylalaninamide (C32 H29 N5 O9 S2, 691.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
F17
Formula
C32 H29 N5 O9 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

F17 in 2 structures; the first of them:

  • 2CMB · Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidi… · F17 A1282 · binds LYS41, ARG45, TYR46, ARG47, ASP48, VAL49, ASP181, PHE182 and 10 more
  • 2CMB · Structural basis for inhibition of protein tyrosine phosphatase 1B by isothiazolidinone… · F17 A1282 · binds LYS41, ARG45, TYR46, ARG47, ASP48, VAL49, ASP181, PHE182 and 10 more

Residues it binds most

ARG 2, GLY 2, ASP 2, GLN 2, ALA 2, CYS 2, ILE 2, LYS 2, PHE 2, SER 2 (residue and the binding sites it lines).

Found with

  • BOG · octyl beta-D-glucopyranoside

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