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Ligand · W16

W16 · 5-(2-chloroethyl)-1,3,4-thiadiazol-2-amine

W16, 5-(2-chloroethyl)-1,3,4-thiadiazol-2-amine (C4 H6 Cl N3 S, 163.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
W16
Formula
C4 H6 Cl N3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

W16 in 2 structures; the first of them:

  • 2YHI · Trypanosoma brucei PTR1 in complex with inhibitor WH16 · W16 A1270 · binds PHE97, ASP161, TYR174, VAL206, PRO210, MET213, TRP221
  • 2YHI · Trypanosoma brucei PTR1 in complex with inhibitor WH16 · W16 A1270 · binds PHE97, ASP161, TYR174, VAL206, PRO210, MET213, TRP221

Residues it binds most

ASP 8, MET 8, PHE 8, PRO 8, TRP 8, TYR 8, VAL 8, GLY 6, LEU 2 (residue and the binding sites it lines).

Found with

  • DTV · (2S,3S)-1,4-dimercaptobutane-2,3-diol
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • ACT · Acetate ion
  • DTT · 2,3-dihydroxy-1,4-dithiobutane
  • DTU · (2R,3S)-1,4-dimercaptobutane-2,3-diol

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