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Ligand · 477

477 · 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol

477, 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol (C19 H19 F2 N3 O S, 375.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…

Component
477
Formula
C19 H19 F2 N3 O S
Class
ligand
Structures
4
PDB entries
2

Binding sites

477 in 4 structures; the first of them:

  • 3V8T · Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with… · 477 A701 · binds ILE369, VAL377, ALA389, LYS391, PHE435, GLU436, PHE437, MET438 and 6 more
  • 3VF9 · Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with… · 477 A701 · binds LEU377, VAL385, ALA400, VAL433, MET448, GLU449, MET450, ALA451 and 5 more
  • 3V8T · Crystal structure of interleukin-2 inducible T-cell kinase itk catalytic domain with… · 477 A701 · binds ILE369, VAL377, ALA389, LYS391, PHE435, GLU436, PHE437, MET438 and 6 more
  • 3VF9 · Crystal structure of spleen tyrosine kinase syk catalytic domain with… · 477 A701 · binds LEU377, VAL385, ALA400, VAL433, MET448, GLU449, MET450, ALA451 and 5 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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