Ligand · XUY
XUY · (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl) amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
XUY, (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl) amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate (C28 H35 N3 O7 S2, 589.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4…
- Component
- XUY
- Formula
- C28 H35 N3 O7 S2
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
XUY in 4 structures; the first of them:
- 7LE0 · HIV-1 Protease WT (NL4-3) in Complex with a Darunavir Derivative · XUY A104 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 19 more
- 7MA2 · HIV-1 Protease (I84V) in Complex with a Darunavir Derivative · XUY A101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 19 more
- 7LE0 · HIV-1 protease wt (NL4-3) in complex with a darunavir derivative · XUY A104 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 19 more
- 7MA2 · HIV-1 protease (I84V) in complex with a darunavir derivative · XUY A101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 19 more
Residues it binds most
ASP 4, GLY 4, VAL 4, ILE 4, ALA 4, LEU 4, ARG 4, PRO 4 (residue and the binding sites it lines).
Found with
- SO4 · Sulfate ion
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