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Ligand · 0S2

0S2 · 5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid

0S2, 5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid (C22 H31 N O3 S, 389.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
0S2
Formula
C22 H31 N O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0S2 in 2 structures; the first of them:

  • 4EO6 · HCV NS5B polymerase inhibitors: Tri-substituted acylhydrazines as tertiary amide… · 0S2 A600 · binds LEU419, ARG422, MET423, LEU474, HIS475, SER476, TYR477, ILE482 and 6 more
  • 4EO6 · HCV NS5B polymerase inhibitors: tri-substituted acylhydrazines as tertiary amide… · 0S2 A600 · binds LEU419, ARG422, MET423, LEU474, HIS475, SER476, TYR477, ILE482 and 6 more

Residues it binds most

LEU 4, ARG 4, ALA 4, HIS 4, ILE 4, MET 4, SER 4, TRP 4, TYR 4, VAL 4 (residue and the binding sites it lines).

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