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Ligand · LI3

LI3 · 3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide

LI3, 3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide (C19 H18 F N3 O2, 339.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
LI3
Formula
C19 H18 F N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

LI3 in 2 structures; the first of them:

  • 1WBV · Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead… · LI3 A1355 · binds ALA51, VAL52, LYS53, GLU71, LEU74, LEU75, MET78, VAL83 and 11 more
  • 1WBV · Identification of novel P38 alpha MAP kinase inhibitors using fragment-based lead… · LI3 A1355 · binds ALA51, VAL52, LYS53, GLU71, LEU74, LEU75, MET78, VAL83 and 11 more

Residues it binds most

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

Found with

  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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