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Ligand · 631

631 · (1R,2S)-2-{3-[(E)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2H-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one

631, (1R,2S)-2-{3-[(E)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2H-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one (C29 H28 N4 O2, 464.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
631
Formula
C29 H28 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

631 in 2 structures; the first of them:

  • 4JXF · Crystal Structure of PLK4 Kinase with an inhibitor: 400631… · 631 A301 · binds LEU18, GLY19, PHE23, VAL26, ARG28, ALA39, LYS41, LEU73 and 17 more
  • 4JXF · Crystal structure of PLK4 kinase with an inhibitor: 400631 ((1R,2S)-2… · 631 A301 · binds LEU18, GLY19, PHE23, VAL26, ARG28, ALA39, LYS41, LEU73 and 17 more

Residues it binds most

LEU 2, ALA 2, ASN 2, GLU 2, GLY 2, ARG 2, ASP 2, CYS 2, GLN 2, HIS 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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