GL1X · GenesisL1 explorer

Ligand · 2VU

2VU · N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide

2VU, N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (C22 H16 N8 O, 408.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…

Component
2VU
Formula
C22 H16 N8 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

2VU in 4 structures; the first of them:

  • 4PPA · ITK kinase domain with compound 11 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-6-(1H-PYRAZOL-4… · 2VU A701 · binds LYS387, ALA389, LYS391, VAL419, PHE435, GLU436, PHE437, MET438 and 10 more
  • 4PRJ · Aurora A kinase domain with compound 2 (N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazo… · 2VU A401 · binds ARG137, LEU139, VAL147, ALA160, LYS162, LEU194, LEU210, GLU211 and 8 more
  • 4PPA · Itk kinase domain with compound 11 (N-[1-(3-cyanobenzyl)-1H-pyrazol-4… · 2VU A701 · binds LYS387, ALA389, LYS391, VAL419, PHE435, GLU436, PHE437, MET438 and 10 more
  • 4PRJ · Aurora a kinase domain with compound 2 (N-[1-(3-cyanobenzyl)-1H… · 2VU A401 · binds ARG137, LEU139, VAL147, ALA160, LYS162, LEU194, LEU210, GLU211 and 8 more

Residues it binds most

LEU 6, ALA 6, GLU 6, LYS 6, VAL 6, PHE 4, ASP 6, GLY 6, ARG 2, GLN 4 (residue and the binding sites it lines).

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