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Ligand · 054

054 · 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid

054, 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid (C22 H14 F3 N5 O4 S, 501.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
054
Formula
C22 H14 F3 N5 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

054 in 2 structures; the first of them:

  • 3SKE · I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with… · 054 A578 · binds PHE193, PRO197, ARG200, ASN316, ASP319, CYS366, SER367, SER368 and 10 more
  • 3SKE · I. novel HCV NS5B polymerase inhibitors: discovery of indole 2- carboxylic acids with… · 054 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, ASP 4, ARG 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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