GL1X · GenesisL1 explorer

Ligand · 1X3

1X3 · (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate

1X3, (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate (C37 H51 N5 O9…

Component
1X3
Formula
C37 H51 N5 O9 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1X3 in 2 structures; the first of them:

  • 4KTC · NS3/NS4A protease with inhibitor · 1X3 A202 · binds GLN41, SER42, PHE43, VAL55, HIS57, GLY58, VAL78, ASP79 and 22 more
  • 4KTC · NS3/NS4A protease with inhibitor · 1X3 A202 · binds GLN41, SER42, PHE43, VAL55, HIS57, GLY58, VAL78, ASP79 and 22 more

Residues it binds most

VAL 4, ASP 4, SER 4, GLY 4, ALA 4, ARG 4, GLN 4, PHE 4, HIS 4, LEU 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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