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Ligand · YJ6

YJ6 · 4-[(3,4-dichlorophenyl)methyl]-~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide

YJ6, 4-[(3,4-dichlorophenyl)methyl]-~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide (C41 H41 Cl2 F2 N4 O3, 746.7 g/mol), in the MolNFT structures on…

Component
YJ6
Formula
C41 H41 Cl2 F2 N4 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

YJ6 in 1 structure; the first of them:

  • 8PF3 · Crystal structure of Trypanosoma brucei trypanothione reductase in complex with… · YJ6 A502 · binds SER394, PHE396, THR397, PRO398, LEU399, HIS461, PRO462, THR463 and 11 more

Residues it binds most

THR 4, GLU 4, SER 4, LEU 4, PRO 4, VAL 4, LYS 4, PHE 4, HIS 3, ILE 3 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • IMD · Imidazole
  • PEG · Di(hydroxyethyl)ether

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