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Ligand · HI3

HI3 · N-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide

HI3, N-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide (C25 H20 F3 N3 O4 S, 515.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
HI3
Formula
C25 H20 F3 N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

HI3 in 2 structures; the first of them:

  • 3TYV · SAR development and discovery of potent indole-based inhibitors of the hepatitis C virus… · HI3 A578 · binds PHE193, PRO197, ARG200, ASN316, ASP319, CYS366, SER367, SER368 and 10 more
  • 3TYV · Sar development and discovery of potent indole-based inhibitors of the hepatitis C virus… · HI3 A578 · binds PHE193, PRO197, ARG200, ASN316, ASP319, CYS366, SER367, SER368 and 10 more

Residues it binds most

SER 4, ASN 4, GLY 4, TYR 4, ARG 4, ASP 4, CYS 4, GLN 4, ILE 4, LEU 4 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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