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Ligand · YIA

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

YIA, ~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-methyl-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide (C35 H39 F2 N4 O3, 601.7 g/mol), in the MolNFT structures on GenesisL1: bound in 1…

Component
YIA
Formula
C35 H39 F2 N4 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

YIA in 1 structure; the first of them:

  • 8PF4 · Crystal structure of Trypanosoma brucei trypanothione reductase in complex with… · YIA A502 · binds PHE396, THR397, PRO398, LEU399, HIS461, PRO462, THR463, SER464 and 9 more

Residues it binds most

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

Found with

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

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