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Ligand · YJK

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

YJK, 4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide (C35 H38 Cl2 F N4 O3, 652.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1…

Component
YJK
Formula
C35 H38 Cl2 F N4 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

YJK in 1 structure; the first of them:

  • 8PF5 · Crystal structure of Trypanosoma brucei trypanothione reductase in complex with… · YJK A502 · binds PHE396, THR397, PRO398, LEU399, HIS461, PRO462, THR463, SER464 and 11 more

Residues it binds most

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

Found with

  • FAD · Flavin-adenine dinucleotide
  • DMS · Dimethyl sulfoxide
  • PEG · Di(hydroxyethyl)ether

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