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Ligand · 0O4

0O4 · 4-(isoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide

0O4, 4-(isoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide (C22 H23 N3 O2, 361.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
0O4
Formula
C22 H23 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

0O4 in 2 structures; the first of them:

  • 4EE0 · Crystal structure of hH-PGDS with water displacing inhibitor · 0O4 A202 · binds TYR8, PHE9, MET11, GLY13, ARG14, ASP96, MET99, SER100 and 4 more
  • 4EE0 · Crystal structure of hh-pgds with water displacing inhibitor · 0O4 A202 · binds TYR8, PHE9, MET11, GLY13, ARG14, ASP96, MET99, SER100 and 4 more

Residues it binds most

MET 4, TYR 4, ARG 4, ASP 4, CYS 4, GLY 4, LEU 4, PHE 4, SER 4, TRP 4 (residue and the binding sites it lines).

Found with

  • GSF · L-gamma-glutamyl-3-sulfino-L-alanylglycine
  • MG · Magnesium ion

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