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Ligand · DWW

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

DWW, [2-({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
DWW
Formula
C21 H20 B Cl2 N3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

DWW in 2 structures; the first of them:

  • 3WAW · Crystal Structure of Autotaxin in Complex with 2BoA · DWW A937 · binds ILE167, SER169, THR209, PHE210, LEU213, LEU216, ALA217, LEU243 and 8 more
  • 3WAW · Crystal structure of autotaxin in complex with 2BOA · DWW A937 · binds ILE167, SER169, THR209, PHE210, LEU213, LEU216, ALA217, LEU243 and 8 more

Residues it binds most

PHE 2, LEU 2, ALA 2, ARG 2, ILE 2, SER 2, THR 2, TRP 2, TYR 2, VAL 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
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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