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Ligand · 0PO

0PO · N-[(1R)-1-{[(1S,2S)-1-benzyl-3-{(2R,4S)-2-(tert-butylcarbamoyl)-4-[(pyridin-3-ylmethyl)sulfanyl]piperidin-1-yl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]quinoline-2-carboxamide

0PO, N-[(1R)-1-{[(1S,2S)-1-benzyl-3-{(2R,4S)-2-(tert-butylcarbamoyl)-4-[(pyridin-3-ylmethyl)sulfanyl]piperidin-1-yl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]quinoline-2-carboxamide (C41 H52 N6 O4 S, 725.0 g/mol), in the MolNFT structures…

Component
0PO
Formula
C41 H52 N6 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0PO in 2 structures; the first of them:

  • 1IDA · Crystal structures of HIV-2 protease in complex with inhibitors containing the… · 0PO B100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE32 and 21 more
  • 1IDA · Crystal structures of HIV-2 protease in complex with inhibitors containing the… · 0PO B100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE32 and 21 more

Residues it binds most

ILE 2, ASP 2, GLY 2, ALA 2, LEU 2, PRO 2, VAL 2, ARG 2 (residue and the binding sites it lines).

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