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Ligand · OV0

OV0 · 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl) anilino]-5H-pyrrolo[3,4-b]pyridin-5-one

OV0, 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl) anilino]-5H-pyrrolo[3,4-b]pyridin-5-one (C24 H18 F2 N4 O2, 432.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
OV0
Formula
C24 H18 F2 N4 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

OV0 in 4 structures; the first of them:

  • 7UYU · Crystal structure of TYK2 kinase domain in complex with compound 30 · OV0 A1201 · binds ARG901, LEU903, GLY904, GLU905, VAL911, ALA928, MET978, GLU979 and 9 more
  • 7UYW · Crystal structure of JAK2 kinase domain in complex with compound 30 · OV0 A1201 · binds GLN853, LEU855, GLY856, LYS857, GLY858, VAL863, ALA880, VAL911 and 11 more
  • 7UYU · Crystal structure of TYK2 kinase domain in complex with compound 30 · OV0 A1201 · binds ARG901, LEU903, GLY904, GLU905, VAL911, ALA928, MET978, GLU979 and 9 more
  • 7UYW · Crystal structure of JAK2 kinase domain in complex with compound 30 · OV0 A1201 · binds GLN853, LEU855, GLY856, LYS857, VAL863, ALA880, MET929, GLU930 and 7 more

Residues it binds most

GLY 4, LEU 4, VAL 4, ARG 4, GLU 4, ASP 3, ALA 4, ASN 4, MET 4, PRO 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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