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Ligand · 33H

33H · 3-{(2R,5R)-5-cyclohexyl-2-[(2R)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid

33H, 3-{(2R,5R)-5-cyclohexyl-2-[(2R)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid (C24 H33 N O5 S, 447.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
33H
Formula
C24 H33 N O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

33H in 2 structures; the first of them:

  • 4TLR · NS5b in complex with lactam-thiophene carboxylic acids · 33H A601 · binds LEU419, ARG422, MET423, LEU474, HIS475, SER476, TYR477, ILE482 and 6 more
  • 4TLR · NS5B in complex with lactam-thiophene carboxylic acids · 33H A601 · binds LEU419, ARG422, MET423, LEU474, HIS475, SER476, TYR477, ILE482 and 6 more

Residues it binds most

LEU 2, ARG 2, ALA 2, HIS 2, ILE 2, MET 2, SER 2, TRP 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • 79Z · 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide

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