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Ligand · L9J

L9J · (1ar,5s,8s,9s,10r,22ar)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl) sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3, 6-dioxo-1,1A,3,4,5,6,9,10,18,19,20,21,22,22A-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10, 3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide

L9J, (1ar,5s,8s,9s,10r,22ar)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl) sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3…

Component
L9J
Formula
C40 H54 F2 N6 O9 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

L9J in 2 structures; the first of them:

  • 6NZV · Crystal structure of HCV NS3/4A protease in complex with compound 12 · L9J A1201 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 13 more
  • 6NZV · Crystal structure of HCV NS3/4A protease in complex with compound 12 · L9J A1201 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 13 more

Residues it binds most

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

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion

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