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Ligand · 0WP

0WP · 3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide

0WP, 3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide (C25 H20 F2 N6 O3, 490.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
0WP
Formula
C25 H20 F2 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

0WP in 2 structures; the first of them:

  • 4G9C · Human B-Raf Kinase Domain bound to a Type II Pyrazolopyridine Inhibitor · 0WP A801 · binds ILE463, VAL471, ALA481, VAL482, LYS483, GLU501, VAL504, LEU505 and 17 more
  • 4G9C · Human B-RAF kinase domain bound to a type II pyrazolopyridine inhibitor · 0WP A801 · binds ILE463, VAL471, ALA481, VAL482, LYS483, GLU501, VAL504, LEU505 and 17 more

Residues it binds most

ILE 4, LEU 4, VAL 4, PHE 4, THR 4, ALA 4, ASP 4, CYS 4, GLN 4, GLU 4 (residue and the binding sites it lines).

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