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Ligand · XT4

XT4 · Tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-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

XT4, Tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14A-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2…

Component
XT4
Formula
C37 H47 F3 N6 O9 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

XT4 in 2 structures; the first of them:

  • 7L7P · Crystal structure of HCV NS3/4A D168A protease in complex with CH-24 · XT4 A1202 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 11 more
  • 7L7P · Crystal structure of HCV NS3/4A D168A protease in complex with ch-24 · XT4 A1202 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 10 more

Residues it binds most

ALA 2, GLY 2, PHE 2, SER 2, VAL 2, ARG 2, ASP 2, GLN 2, HIS 2, ILE 2 (residue and the binding sites it lines).

Found with

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

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