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Ligand · I45

I45 · 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide

I45, 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide (C22 H19 Br F2 N2 O3, 477.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
I45
Formula
C22 H19 Br F2 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

I45 in 2 structures; the first of them:

  • 3HLL · Crystal Structure of Human p38alpha complexed with PH-797804 · I45 A401 · binds VAL30, VAL38, ALA51, VAL52, LYS53, LEU75, ILE84, GLY85 and 12 more
  • 3HLL · Crystal structure of human P38ALPHA complexed with pH-797804 · I45 A401 · binds VAL30, VAL38, ALA51, VAL52, LYS53, LEU75, ILE84, GLY85 and 12 more

Residues it binds most

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

Found with

  • I46 · 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
  • PO2 · Hypophosphite

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