GL1X · GenesisL1 explorer

Ligand · VFC

VFC · N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

VFC, N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (C22 H19 F N8 O2, 446.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
VFC
Formula
C22 H19 F N8 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

VFC in 2 structures; the first of them:

  • 3ZC6 · Crystal structure of JAK3 kinase domain in complex with an indazole substituted… · VFC A2103 · binds LEU828, GLY829, LYS830, GLY831, GLY834, SER835, VAL836, ALA853 and 15 more
  • 3ZC6 · Crystal structure of JAK3 kinase domain in complex with an indazole substituted… · VFC A2103 · binds LEU828, GLY829, LYS830, GLY831, GLY834, SER835, VAL836, ALA853 and 15 more

Residues it binds most

GLY 8, LEU 8, ALA 8, ARG 8, ASP 8, LYS 8, VAL 8, ASN 8, CYS 8, GLU 8 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol

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