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Ligand · 1PV

1PV · [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid

1PV, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid (C27 H25 B F2 N2 O6 S, 554.4 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4…

Component
1PV
Formula
C27 H25 B F2 N2 O6 S
Class
ligand
Structures
8
PDB entries
4

Binding sites

1PV in 8 structures; the first of them:

  • 4KAI · HCV NS5B GT1B N316 with GSK5852A · 1PV A601 · binds PHE193, PRO197, ARG200, LEU204, LEU314, VAL315, ASN316, ASP319 and 13 more
  • 4KE5 · HCV NS5B GT1B N316Y with GSK5852 · 1PV A601 · binds PRO197, ARG200, LEU204, LEU314, VAL315, TYR316, ASP319, LEU320 and 12 more
  • 4KHM · HCV NS5B GT1A with GSK5852 · 1PV A601 · binds GLY192, PHE193, PRO197, ARG200, LEU204, LEU314, VAL315, CYS316 and 14 more
  • 4KHR · HCV NS5B GT1A C316Y with GSK5852 · 1PV A604 · binds PRO197, ARG200, LEU204, LEU314, VAL315, TYR316, ASP319, LEU320 and 11 more
  • 4KAI · HCV NS5B GT1B N316 with GSK5852A · 1PV A601 · binds PHE193, PRO197, ARG200, LEU204, LEU314, VAL315, ASN316, ASP319 and 13 more
  • 4KE5 · HCV NS5B GT1B N316Y with GSK5852 · 1PV A601 · binds PRO197, ARG200, LEU204, LEU314, VAL315, TYR316, ASP319, LEU320 and 12 more
  • 4KHM · HCV NS5B GT1A with GSK5852 · 1PV A601 · binds GLY192, PHE193, PRO197, ARG200, LEU204, LEU314, VAL315, CYS316 and 14 more
  • 4KHR · HCV NS5B GT1A C316Y with GSK5852 · 1PV A604 · binds PRO197, ARG200, LEU204, LEU314, VAL315, TYR316, ASP319, LEU320 and 11 more

Residues it binds most

LEU 22, ARG 22, SER 22, TYR 22, VAL 20, ILE 22, MET 22, CYS 14, GLY 12, ASP 14 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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