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Ligand · LWH

LWH · 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol

LWH, 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol (C21 H20 N6 O, 372.4 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…

Component
LWH
Formula
C21 H20 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

LWH in 2 structures; the first of them:

  • 2XM9 · Structure of a small molecule inhibitor with the kinase domain of Chk2 · LWH A1513 · binds LEU226, GLY227, SER228, VAL234, ALA247, LYS249, GLU273, LEU277 and 12 more
  • 2XM9 · Structure of a small molecule inhibitor with the kinase domain of CHK2 · LWH A1513 · binds LEU226, GLY227, SER228, VAL234, ALA247, LYS249, GLU273, LEU277 and 12 more

Residues it binds most

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

Found with

  • NO3 · Nitrate ion

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