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Ligand · BXI

BXI · 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol

BXI, 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol (C23 H28 Cl2 N6 O2, 491.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
BXI
Formula
C23 H28 Cl2 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

BXI in 2 structures; the first of them:

  • 7SUH · Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 15 · BXI A301 · binds LEU15, GLY16, GLU17, GLY18, VAL23, ALA36, ILE68, MET84 and 12 more
  • 7SUH · Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 15 · BXI A301 · binds LEU15, GLY16, GLU17, VAL23, ALA36, MET84, GLU85, LEU86 and 9 more

Residues it binds most

ALA 2, LEU 2, GLY 2, ASP 2, GLU 2, ASN 2, HIS 2, MET 2, SER 2, VAL 2 (residue and the binding sites it lines).

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