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Ligand · LIB

LIB · 3-(2-chlorophenyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea

LIB, 3-(2-chlorophenyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea (C23 H26 Cl N5 O3, 455.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
LIB
Formula
C23 H26 Cl N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

LIB in 2 structures; the first of them:

  • 2GHL · Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor PG-874743 · LIB A401 · binds VAL30, GLY31, SER32, TYR35, VAL38, ALA51, VAL52, LYS53 and 14 more
  • 2GHL · Mutant mus musculus P38 kinase domain in complex with inhibitor pg- 874743 · LIB A401 · binds VAL30, GLY31, SER32, TYR35, VAL38, ALA51, VAL52, LYS53 and 14 more

Residues it binds most

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

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