GL1X · GenesisL1 explorer

Ligand · 2VV

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

2VV, N-{1-[(1S)-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
2VV
Formula
C25 H26 N8 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

2VV in 2 structures; the first of them:

  • 4PPB · ITK kinase domain with compound 28 (N-{1-[(1S)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZO… · 2VV A701 · binds ALA389, LYS391, VAL419, PHE435, GLU436, PHE437, MET438, GLU439 and 9 more
  • 4PPB · Itk kinase domain with compound 28 (N-{1-[(1S)-3-(dimethylamino)-1… · 2VV A701 · binds ALA389, LYS391, VAL419, PHE435, GLU436, PHE437, MET438, GLU439 and 9 more

Residues it binds most

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

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