GL1X · GenesisL1 explorer

Ligand · 74W

74W · 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea

74W, 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea (C18 H18 Cl F3 N4 O4 S, 478.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
74W
Formula
C18 H18 Cl F3 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

74W in 2 structures; the first of them:

  • 2YOF · Plasmodium falciparum thymidylate kinase in complex with a (thio)urea… · 74W A211 · binds ASP17, ARG18, PHE44, PRO45, ARG47, LEU59, PHE74, ARG78 and 11 more
  • 2YOF · Plasmodium falciparum thymidylate kinase in complex with a (THIO)UREA-beta-deoxythymidine… · 74W A211 · binds ASP17, ARG18, PHE44, PRO45, ARG47, LEU59, PHE74, ARG78 and 11 more

Residues it binds most

ARG 6, TYR 6, GLU 6, PHE 6, ASP 6, GLY 6, LEU 6, PRO 6, SER 6, GLN 4 (residue and the binding sites it lines).

Found with

  • TAM · Tris(hydroxyethyl)aminomethane
  • ACT · Acetate ion

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