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Ligand · ZJV

ZJV · (2S)-1,1,1-trifluoropropan-2-yl {(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

ZJV, (2S)-1,1,1-trifluoropropan-2-yl {(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…

Component
ZJV
Formula
C36 H45 F3 N6 O9 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

ZJV in 4 structures; the first of them:

  • 7MM7 · Crystal structure of HCV NS3/4A protease in complex with NR02-23 · ZJV A1201 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 13 more
  • 7MMI · Crystal structure of HCV NS3/4A D168A protease in complex with NR02-23 · ZJV A1201 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 12 more
  • 7MM7 · Crystal structure of HCV NS3/4A protease in complex with NR02-23 · ZJV A1201 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 13 more
  • 7MMI · Crystal structure of HCV NS3/4A D168A protease in complex with NR02-23 · ZJV A1201 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 12 more

Residues it binds most

ALA 4, GLY 4, PHE 4, SER 4, VAL 4, ARG 4, ASP 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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