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Ligand · D3S

D3S · (6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one

D3S, (6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one (C23 H17 Cl O4 S, 424.9 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its…

Component
D3S
Formula
C23 H17 Cl O4 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

D3S in 3 structures; the first of them:

  • 6MV8 · LDHA structure in complex with inhibitor 14 · D3S A804 · binds ASN137, LEU164, ASP165, ARG168, HIS192, GLY193, ASP194, VAL233 and 7 more
  • 6BB0 · Lactate dehydrogenase in complex with inhibitor (R)-3-((2… · D3S A804 · binds ASN137, LEU164, ASP165, ARG168, HIS192, GLY193, ASP194, VAL233 and 6 more
  • 6MV8 · Ldha structure in complex with inhibitor 14 · D3S A804 · binds ASN137, LEU164, ASP165, ARG168, HIS192, GLY193, ASP194, VAL233 and 6 more

Residues it binds most

ASP 9, VAL 9, TYR 9, ARG 9, GLY 9, ALA 9, ASN 9, HIS 9, ILE 9, THR 9 (residue and the binding sites it lines).

Found with

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

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