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Ligand · 9H4

9H4 · Tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2, 3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl]carbamate

9H4, Tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2, 3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1…

Component
9H4
Formula
C37 H50 N6 O9 S
Class
ligand
Structures
3
PDB entries
3

Binding sites

9H4 in 3 structures; the first of them:

  • 5VOJ · Crystal structure of HCV NS3/4A protease in complex with JZ01-15, an analogue of… · 9H4 A1201 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 11 more
  • 6UE3 · Crystal structure of HCV NS3/4A D168A protease in complex with pc (JZ01-15) · 9H4 A1201 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 11 more
  • 7MME · Crystal structure of HCV NS3/4A D168A protease in complex with JZ01-15 · 9H4 A1201 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 11 more

Residues it binds most

ALA 3, ARG 3, GLY 3, PHE 3, SER 3, ASP 3, GLN 3, HIS 3, ILE 3, LEU 3 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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