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Ligand · DJ4

DJ4 · [2-[oxidanyl(oxidanylidene)-$L^{4}-azanyl]-4-[[(3~{S})-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]phenyl]methanol

DJ4, [2-[oxidanyl(oxidanylidene)-$L^{4}-azanyl]-4-[[(3~{S})-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]phenyl]methanol (C19 H21 F3 N3 O3, 396.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
DJ4
Formula
C19 H21 F3 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

DJ4 in 2 structures; the first of them:

  • 6BDS · Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000204 (Compound 11f) Complex · DJ4 A302 · binds PRO16, ARG17, HIS37, MET38, PHE39, ILE42, PHE43, ASP91 and 14 more
  • 6BDS · Schistosoma mansoni (blood fluke) SULFOTRANSFERASE/CIDD-0000204 (compound 11F) complex · DJ4 A302 · binds PRO16, ARG17, HIS37, MET38, PHE39, ILE42, PHE43, ASP91 and 9 more

Residues it binds most

LEU 4, PRO 4, ILE 4, PHE 2, ASP 2, MET 2, VAL 2, ASN 3, THR 2, TYR 3 (residue and the binding sites it lines).

Found with

  • A3P · Adenosine-3'-5'-diphosphate

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