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Ligand · 2W6

2W6 · N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

2W6, N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (C24 H32 N6 O, 420.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
2W6
Formula
C24 H32 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

2W6 in 2 structures; the first of them:

  • 4PQN · ITK kinase domain with compound GNE-9822 · 2W6 A701 · binds GLN367, ILE369, VAL377, LEU379, ALA389, LYS391, VAL419, PHE435 and 9 more
  • 4PQN · Itk kinase domain with compound gne-9822 · 2W6 A701 · binds GLN367, ILE369, VAL377, LEU379, ALA389, LYS391, VAL419, PHE435 and 9 more

Residues it binds most

GLU 2, LEU 2, PHE 2, VAL 2, ALA 2, ASP 2, GLN 2, GLY 2, HIS 2, ILE 2 (residue and the binding sites it lines).

Found with

  • P4G · 1-ethoxy-2-(2-ethoxyethoxy)ethane

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