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Ligand · QWS

QWS · 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide

QWS, 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide (C18 H19 N5 O3, 353.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…

Component
QWS
Formula
C18 H19 N5 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

QWS in 4 structures; the first of them:

  • 4M14 · Crystal structure of ITK in complex with compound 9… · QWS A701 · binds ILE369, GLY370, SER371, GLY372, VAL377, ALA389, LYS391, VAL419 and 9 more
  • 4M15 · Crystal structure of ITK in complex with compound 9… · QWS A701 · binds TRP356, PHE403, GLU406, ALA407, MET410, MET411, LEU413, VAL419 and 13 more
  • 4M14 · Crystal structure of itk in complex with compound 9 [4… · QWS A701 · binds ILE369, GLY370, SER371, GLY372, VAL377, ALA389, LYS391, VAL419 and 9 more
  • 4M15 · Crystal structure of itk in complex with compound 9 [4… · QWS A701 · binds TRP356, PHE403, GLU406, ALA407, MET410, MET411, LEU413, VAL419 and 13 more

Residues it binds most

PHE 6, VAL 6, GLY 6, LEU 6, MET 6, GLU 6, ALA 6, SER 6, ARG 4, ASP 4 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate

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