GL1X · GenesisL1 explorer

Ligand · ZJJ

ZJJ · 3,3-difluorocyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-[(1-methylcyclopropane-1-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

ZJJ, 3,3-difluorocyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1…

Component
ZJJ
Formula
C37 H46 F2 N6 O9 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

ZJJ in 4 structures; the first of them:

  • 7MM9 · Crystal structure of HCV NS3/4A protease in complex with NR01-149 · ZJJ A1202 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 13 more
  • 7MMK · Crystal structure of HCV NS3/4A D168A protease in complex with NR01-149 · ZJJ A1202 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 12 more
  • 7MM9 · Crystal structure of HCV NS3/4A protease in complex with NR01-149 · ZJJ A1202 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 12 more
  • 7MMK · Crystal structure of HCV NS3/4A D168A protease in complex with NR01- 149 · ZJJ A1202 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 11 more

Residues it binds most

ALA 4, GLY 4, PHE 4, SER 4, ARG 4, ASP 4, VAL 4, GLN 4, HIS 4, ILE 4 (residue and the binding sites it lines).

Found with

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

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