GL1X · GenesisL1 explorer

Ligand · 74X

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

74X, 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-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
74X
Formula
C18 H18 Cl F3 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

74X in 2 structures; the first of them:

  • 2YOG · Plasmodium falciparum thymidylate kinase in complex with a (thio)urea… · 74X A211 · binds ASP17, PHE44, PRO45, SER56, LEU59, LYS60, PHE74, ARG78 and 7 more
  • 2YOG · Plasmodium falciparum thymidylate kinase in complex with a… · 74X A211 · binds ASP17, PHE44, PRO45, SER56, LEU59, LYS60, PHE74, ARG78 and 7 more

Residues it binds most

TYR 4, ARG 4, PHE 4, SER 4, GLY 4, ILE 4, LEU 4, LYS 4, PRO 4, ASP 2 (residue and the binding sites it lines).

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