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Ligand · 5R2

5R2 · 2-Methyl-2-propanyl {(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop ropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate

5R2, 2-Methyl-2-propanyl {(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop…

Component
5R2
Formula
C37 H50 N6 O9 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

5R2 in 2 structures; the first of them:

  • 5EPN · Crystal structure of HCV NS3/4A protease in complex with 5172-mcP1P3 (MK-5172 P1-P3… · 5R2 A1203 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 11 more
  • 5EPY · Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-mcP1P3… · 5R2 A1203 · binds GLN1041, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081, ILE1132 and 9 more

Residues it binds most

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

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion

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