GL1X · GenesisL1 explorer

Ligand · ZKA

ZKA · (1-methylcyclopropyl)methyl {(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

ZKA, (1-methylcyclopropyl)methyl {(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]pyr…

Component
ZKA
Formula
C38 H50 N6 O9 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

ZKA in 4 structures; the first of them:

  • 7MM4 · Crystal structure of HCV NS3/4A protease in complex with NR01-115 · ZKA A1204 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 13 more
  • 7MMC · Crystal structure of HCV NS3/4A D168A protease in complex with NR01-115 · ZKA A1202 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 13 more
  • 7MM4 · Crystal structure of HCV NS3/4A protease in complex with NR01-115 · ZKA A1204 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 13 more
  • 7MMC · Crystal structure of HCV NS3/4A D168A protease in complex with NR01- 115 · ZKA A1202 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 13 more

Residues it binds most

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