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Ligand · 0GT

0GT · (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide

0GT, (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide (C27 H34 F2 N2 O3 S, 504.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
0GT
Formula
C27 H34 F2 N2 O3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

0GT in 4 structures; the first of them:

  • 3VG1 · Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a… · 0GT A401 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 18 more
  • 4D83 · Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a… · 0GT A401 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 17 more
  • 3VG1 · Crystal structure of human beta secretase in complex with nvp-BUR436, derived from a… · 0GT A401 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 18 more
  • 4D83 · Crystal structure of human beta secretase in complex with nvp-BUR436, derived from a… · 0GT A401 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 17 more

Residues it binds most

GLY 8, ILE 8, THR 8, ARG 8, ASP 8, GLN 8, TYR 8, LEU 8, PHE 8, PRO 8 (residue and the binding sites it lines).

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