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Ligand · 0GU

0GU · (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide

0GU, (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide (C30 H39 F3 N2 O3 S, 564.7 g/mol), in the MolNFT structures on GenesisL1…

Component
0GU
Formula
C30 H39 F3 N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0GU in 2 structures; the first of them:

  • 4D85 · Crystal Structure of Human Beta Secretase in Complex with NVP-BVI151 · 0GU A401 · binds GLY13, GLN14, GLY15, LEU32, ASP34, GLY36, SER37, VAL71 and 20 more
  • 4D85 · Crystal structure of human beta secretase in complex with nvp-BVI151 · 0GU A401 · binds GLY13, GLN14, GLY15, LEU32, ASP34, GLY36, SER37, VAL71 and 20 more

Residues it binds most

GLY 2, ILE 2, THR 2, ARG 2, ASP 2, GLN 2, LYS 2, TYR 2, LEU 2, PHE 2 (residue and the binding sites it lines).

Found with

  • IOD · Iodide ion

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