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Ligand · 6KR

6KR · (3R,3aS,7aR)-hexahydro-4H-furo[2,3-b]pyran-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate

6KR, (3R,3aS,7aR)-hexahydro-4H-furo[2,3-b]pyran-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate (C33 H50 N2 O8 S, 634.8 g/mol), in the MolNFT…

Component
6KR
Formula
C33 H50 N2 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

6KR in 2 structures; the first of them:

  • 5JG1 · HIV-1 wild Type protease with GRL-031-14A (a Adamantane P1-Ligand with… · 6KR B201 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 5JG1 · HIV-1 wild type protease with grl-031-14A (a adamantane P1-ligand with… · 6KR B201 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more

Residues it binds most

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

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • GOL · Glycerol

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