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Ligand · 1BQ

1BQ · [4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone

1BQ, [4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone (C24 H26 N4 O4 S, 466.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
1BQ
Formula
C24 H26 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1BQ in 2 structures; the first of them:

  • 4I4E · Structure of Focal Adhesion Kinase catalytic domain in complex with hinge binding… · 1BQ A1000 · binds ARG426, ILE428, VAL436, ALA452, LYS454, VAL484, MET499, GLU500 and 9 more
  • 4I4E · Structure of focal adhesion kinase catalytic domain in complex with hinge binding… · 1BQ A1000 · binds ARG426, ILE428, VAL436, ALA452, LYS454, VAL484, MET499, GLU500 and 9 more

Residues it binds most

LEU 2, VAL 2, GLU 2, ALA 2, ARG 2, CYS 2, GLY 2, ILE 2, LYS 2, MET 2 (residue and the binding sites it lines).

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