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Ligand · B4W

B4W · 2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol

B4W, 2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol (C18 H18 N4 O, 306.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
B4W
Formula
C18 H18 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

B4W in 2 structures; the first of them:

  • 2XM8 · Co-crystal structure of a small molecule inhibitor bound to the kinase domain of Chk2 · B4W A1504 · binds LEU226, GLY232, ALA247, LEU301, GLU302, LEU303, MET304, GLY307 and 6 more
  • 2XM8 · Co-crystal structure of a small molecule inhibitor bound to the kinase domain of CHK2 · B4W A1504 · binds LEU226, GLY232, ALA247, LEU301, GLU302, LEU303, MET304, GLY307 and 6 more

Residues it binds most

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

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