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Ligand · 3U1

3U1 · 3-{6-[(4R)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1H-indazole

3U1, 3-{6-[(4R)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1H-indazole (C24 H21 F2 N5 O, 433.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
3U1
Formula
C24 H21 F2 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3U1 in 2 structures; the first of them:

  • 4WRS · Crystal structure of human Pim-1 kinase in complex with an azaspiro pyrazinyl-indazole… · 3U1 A403 · binds LEU44, GLY45, SER46, PHE49, VAL52, ALA65, LYS67, ILE104 and 10 more
  • 4WRS · Crystal structure of human pim-1 kinase in complex with an azaspiro pyrazinyl-indazole… · 3U1 A403 · binds LEU44, GLY45, SER46, PHE49, VAL52, ALA65, LYS67, ILE104 and 10 more

Residues it binds most

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

Found with

  • GOL · Glycerol

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