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Ligand · CWS

CWS · 6-methylquinazolin-4-amine

CWS, 6-methylquinazolin-4-amine (C9 H9 N3, 159.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
CWS
Formula
C9 H9 N3
Class
ligand
Structures
3
PDB entries
2

Binding sites

CWS in 3 structures; the first of them:

  • 4BDE · Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase… · CWS A1515 · binds LEU226, VAL234, ALA247, LEU301, GLU302, LEU303, MET304, GLY307 and 3 more
  • 4BDE · Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase… · CWS A1515 · binds LEU226, VAL234, ALA247, LEU301, GLU302, LEU303, MET304, GLY307 and 3 more
  • 5AQO · Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site… · CWS A1384 · binds LYS271, ARG272, SER275, GLY339, SER340, ARG342, ILE343, ASP366

Residues it binds most

LEU 2, ARG 3, SER 3, GLY 5, GLU 2, ASP 3, ILE 3, LYS 3, ALA 2, MET 2 (residue and the binding sites it lines).

Found with

  • NO3 · Nitrate ion
  • EDO · 1,2-ethanediol
  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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