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Ligand · 1LE

1LE · (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3, 4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide

1LE, (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3, 4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide (C24 H28 N4 O5, 452.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
1LE
Formula
C24 H28 N4 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

1LE in 2 structures; the first of them:

  • 7UP7 · Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound with… · 1LE A900 · binds LEU432, GLY433, GLU434, GLY435, SER438, ILE439, CYS440, ALA453 and 12 more
  • 7UP7 · Crystal structure of C-terminal domain of MSK1 in complex with covalently bound with… · 1LE A900 · binds LEU432, GLY433, GLU434, GLY435, SER438, CYS440, ALA453, LYS455 and 7 more

Residues it binds most

LEU 4, GLU 4, GLY 3, ILE 4, ALA 4, ASN 4, ASP 4, CYS 4, LYS 4, SER 4 (residue and the binding sites it lines).

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