GL1X · GenesisL1 explorer

Ligand · 2VW

2VW · N-{1-[(1R)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide

2VW, N-{1-[(1R)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (C25 H26 N8 O, 454.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
2VW
Formula
C25 H26 N8 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

2VW in 2 structures; the first of them:

  • 4PPC · ITK kinase domain with compound 27 (N-{1-[(1R)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZO… · 2VW A701 · binds ALA389, LYS391, VAL419, PHE435, GLU436, PHE437, MET438, GLU439 and 10 more
  • 4PPC · Itk kinase domain with compound 27 (N-{1-[(1R)-3-(dimethylamino)-1… · 2VW A701 · binds ALA389, LYS391, VAL419, PHE435, GLU436, PHE437, MET438, GLU439 and 10 more

Residues it binds most

GLU 4, LEU 4, PHE 4, VAL 4, ASP 4, ALA 4, GLN 4, GLY 4, HIS 4, ILE 4 (residue and the binding sites it lines).

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