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Ligand · 0GX

0GX · {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone

0GX, {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone (C23 H28 Br F N2 O2 S, 495.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
0GX
Formula
C23 H28 Br F N2 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0GX in 2 structures; the first of them:

  • 3V7T · Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a… · 0GX A301 · binds GLN102, ASP203, SER204, CYS205, GLN206, SER209, VAL227, SER228 and 10 more
  • 3V7T · Crystal structure of human beta-tryptase complexed with a synthetic inhibitor with a… · 0GX A301 · binds GLN102, ASP203, SER204, CYS205, GLN206, SER209, VAL227, SER228 and 10 more

Residues it binds most

GLY 8, SER 8, CYS 8, GLN 8, ASP 8, GLU 8, PRO 8, THR 8, TRP 8, TYR 8 (residue and the binding sites it lines).

Found with

  • CO3 · Carbonate ion

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