Ligand · 0UP

0UP · 4-{[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol

0UP, 4-{[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol (C24 H32 F N3 O4 S, 477.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component: 0UP
Formula: C24 H32 F N3 O4 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

0UP in 2 structures; the first of them:

4FM7 · Crystal Structure of BACE with Compound 14g · 0UP A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, SER35, TYR71, THR72 and 12 more
4FM7 · Crystal structure of bace with compound 14G · 0UP A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, SER35, TYR71, THR72 and 12 more

Residues it binds most

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

Found with

ZN · Zinc ion

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