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Ligand · SWH

SWH · {4-[(4-{(Z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]phenyl}(trihydroxy)borate(1-)

SWH, {4-[(4-{(Z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]phenyl}(trihydroxy)borate(1-) (C24 H20 B F N O6 S -1, 480.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
SWH
Formula
C24 H20 B F N O6 S -1
Class
ligand
Structures
2
PDB entries
1

Binding sites

SWH in 2 structures; the first of them:

  • 2XRG · Crystal structure of Autotaxin (ENPP2) in complex with the HA155 boronic acid inhibitor · SWH A1862 · binds ILE167, SER169, ASP171, THR209, PHE210, LEU213, TYR214, ALA217 and 10 more
  • 2XRG · Crystal structure of autotaxin (ENPP2) in complex with the HA155 boronic acid inhibitor · SWH A1862 · binds ILE167, SER169, ASP171, THR209, PHE210, LEU213, TYR214, ALA217 and 10 more

Residues it binds most

PHE 2, ASP 2, HIS 2, LEU 2, TRP 2, TYR 2, ALA 2, ASN 2, ILE 2, SER 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • IOD · Iodide ion

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