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Ligand · BXJ

BXJ · N-{3-[(2R)-6-{[3-amino-4-(morpholine-4-carbonyl) phenyl]amino}-5-oxo-2,5-dihydropyrazin-2-yl]-2-methylphenyl}-4-(piperidin-1-yl)benzamide

BXJ, N-{3-[(2R)-6-{[3-amino-4-(morpholine-4-carbonyl) phenyl]amino}-5-oxo-2,5-dihydropyrazin-2-yl]-2-methylphenyl}-4-(piperidin-1-yl)benzamide (C34 H37 N7 O4, 607.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
BXJ
Formula
C34 H37 N7 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

BXJ in 2 structures; the first of them:

  • 6AUA · Crystal structure of BRUTON'S tyrosine kinase in complex with inhibitor CGI2625 · BXJ A704 · binds LEU408, GLY409, THR410, GLY411, GLN412, PHE413, VAL416, ALA428 and 15 more
  • 6AUA · Crystal structure of BRUTON'S tyrosine kinase in complex with inhibitor CGI2625 · BXJ A704 · binds LEU408, GLY409, THR410, GLY411, GLN412, PHE413, VAL416, ALA428 and 15 more

Residues it binds most

GLY 2, LEU 2, ALA 2, ASN 2, ASP 2, TYR 2, VAL 2, GLN 2, GLU 2, LYS 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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