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Ligand · 051

051 · (1R,3R,4S)-4-[({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)amino]cyclohexane-1,3-dicarboxylic acid

051, (1R,3R,4S)-4-[({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)amino]cyclohexane-1,3-dicarboxylic acid (C26 H23 F N2 O7 S, 526.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
051
Formula
C26 H23 F N2 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

051 in 2 structures; the first of them:

  • 2XPC · Second-generation sulfonamide inhibitors of MurD: Activity optimisation with… · 051 A500 · binds ILE11, GLY12, ASP35, THR36, ARG37, LEU57, SER71, PRO72 and 11 more
  • 2XPC · Second-generation sulfonamide inhibitors of murd: activity optimisation with… · 051 A500 · binds ILE11, GLY12, ASP35, THR36, ARG37, LEU57, SER71, PRO72 and 11 more

Residues it binds most

GLY 2, ILE 2, LEU 2, PHE 2, SER 2, THR 2, ALA 2, ARG 2, ASN 2, ASP 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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