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Ligand · LI9

LI9 · 4-(4-fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3H-pyrazol-3-one

LI9, 4-(4-fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3H-pyrazol-3-one (C27 H29 F N6 O, 472.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
LI9
Formula
C27 H29 F N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

LI9 in 2 structures; the first of them:

  • 1YWR · Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic… · LI9 A361 · binds VAL30, TYR35, VAL38, ALA51, LYS53, LEU75, ILE84, LEU86 and 12 more
  • 1YWR · Crystal structure analysis of inactive P38 kinase domain in complex with a monocyclic… · LI9 A361 · binds VAL30, TYR35, VAL38, ALA51, LYS53, LEU75, ILE84, LEU86 and 12 more

Residues it binds most

LEU 2, VAL 2, ALA 2, ASP 2, ASN 2, GLY 2, HIS 2, ILE 2, LYS 2, MET 2 (residue and the binding sites it lines).

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