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Ligand · GK7

GK7 · Methyl [(2S)-1-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-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]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate

GK7, Methyl [(2S)-1-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-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…

Component
GK7
Formula
C40 H55 N7 O10 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

GK7 in 2 structures; the first of them:

  • 6DIQ · Crystal structure of HCV NS3/4A protease in complex with P4-P5-1 (WK-23) · GK7 A1201 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 14 more
  • 6DIQ · Crystal structure of HCV NS3/4A protease in complex with P4-P5-1 (wk- 23) · GK7 A1201 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 14 more

Residues it binds most

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

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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