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Ligand · W31

W31 · (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate

W31, (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate (C28 H23 Cl3 O4 S, 561.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
W31
Formula
C28 H23 Cl3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

W31 in 2 structures; the first of them:

  • 4R68 · Lactate Dehydrogenase in complex with inhibitor compound 31 · W31 A803 · binds GLN99, ARG105, LEU108, ASN137, PRO138, LEU164, ASP165, ARG168 and 9 more
  • 4R68 · Lactate dehydrogenase in complex with inhibitor compound 31 · W31 A803 · binds GLN99, ARG105, LEU108, ASN137, PRO138, LEU164, ASP165, ARG168 and 9 more

Residues it binds most

ASP 8, VAL 8, LEU 8, ARG 8, ALA 8, ASN 8, GLY 8, HIS 8, ILE 8, THR 8 (residue and the binding sites it lines).

Found with

  • NAI · 1,4-dihydronicotinamide adenine dinucleotide
  • SO4 · Sulfate ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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