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Ligand · YO1

YO1 · 4-(2-{2,4-diamino-5-[2-(4-{[(2E)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl) hydrazinyl]phenyl}hydrazinyl)-N-[(2S)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide

YO1, 4-(2-{2,4-diamino-5-[2-(4-{[(2E)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl) hydrazinyl]phenyl}hydrazinyl)-N-[(2S)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide (C24 H20 N10 O4 S4, 640.7 g/mol), in the MolNFT structures on GenesisL1…

Component
YO1
Formula
C24 H20 N10 O4 S4
Class
ligand
Structures
2
PDB entries
1

Binding sites

YO1 in 2 structures; the first of them:

  • 7M1V · Structure of Zika virus NS2b-NS3 protease mutant binding the compound NSC86314 in the… · YO1 A1201 · binds TRP1069, LYS1073, GLN1074, LEU1076, PRO1082, TRP1083, LEU1085, ALA1087 and 7 more
  • 7M1V · Structure of zika virus NS2B-NS3 protease mutant binding the compound NSC86314 in the… · YO1 A1201 · binds TRP1069, LYS1073, GLN1074, LEU1076, PRO1082, TRP1083, LEU1085, ALA1087 and 4 more

Residues it binds most

LEU 2, TRP 2, VAL 2, ALA 2, ASP 2, GLN 2, GLY 2, LYS 2, PRO 2, ASN 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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