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Ligand · BWI

BWI · 1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile

BWI, 1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile (C21 H22 N6 O, 374.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
BWI
Formula
C21 H22 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

BWI in 2 structures; the first of them:

  • 7SUG · Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 09 · BWI A301 · binds GLN13, LEU15, TYR20, VAL23, ALA36, ILE68, MET84, GLU85 and 5 more
  • 7SUG · Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 09 · BWI A301 · binds GLN13, LEU15, VAL23, ALA36, GLU85, LEU86, ALA87, SER88 and 2 more

Residues it binds most

LEU 2, ALA 2, GLN 2, GLU 2, GLY 2, SER 2, VAL 2, ILE 1, MET 1, TYR 1 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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