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Ligand · DWY

DWY · [4-({4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid

DWY, [4-({4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid (C21 H20 B Cl2 N3 O3 S, 476.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
DWY
Formula
C21 H20 B Cl2 N3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

DWY in 2 structures; the first of them:

  • 3WAY · Crystal Structure of Autotaxin in Complex with 4BoA · DWY A931 · binds SER169, ASP171, LYS208, THR209, PHE210, LEU213, TYR214, LEU216 and 16 more
  • 3WAY · Crystal structure of autotaxin in complex with 4BOA · DWY A931 · binds SER169, ASP171, LYS208, THR209, PHE210, LEU213, TYR214, LEU216 and 16 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • K · Potassium ion
  • NA · Sodium ion
  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SCN · Thiocyanate ion
  • EDO · 1,2-ethanediol

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