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Ligand · PQC

PQC · 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide

PQC, 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide (C22 H16 N4 O2 S2, 432.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
PQC
Formula
C22 H16 N4 O2 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

PQC in 4 structures; the first of them:

  • 3QGW · Crystal Structure of ITK kinase bound to an inhibitor · PQC A1 · binds ILE369, GLY370, SER371, VAL377, ALA389, LYS391, VAL419, PHE435 and 7 more
  • 3QGY · Crystal structure of ITK inhibitor complex · PQC A1 · binds ILE369, GLY370, SER371, VAL377, ALA389, LYS391, VAL419, PHE435 and 10 more
  • 3QGW · Crystal structure of itk kinase bound to an inhibitor · PQC A1 · binds ILE369, GLY370, SER371, VAL377, ALA389, LYS391, VAL419, PHE435 and 7 more
  • 3QGY · Crystal structure of itk inhibitor complex · PQC A1 · binds ILE369, GLY370, SER371, VAL377, ALA389, LYS391, VAL419, PHE435 and 10 more

Residues it binds most

GLY 4, PHE 4, SER 4, VAL 4, GLU 4, ALA 4, CYS 4, ILE 4, LEU 4, LYS 4 (residue and the binding sites it lines).

Found with

  • L7A · N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide
  • L7O · N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide

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