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Ligand · MWL

MWL · 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine

MWL, 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine (C23 H21 N7, 395.5 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…

Component
MWL
Formula
C23 H21 N7
Class
ligand
Structures
2
PDB entries
1

Binding sites

MWL in 2 structures; the first of them:

  • 4EWQ · Human p38 alpha MAPK in complex with a pyridazine based inhibitor · MWL A402 · binds TYR35, VAL38, ALA51, VAL52, LYS53, LEU75, ILE84, LEU104 and 10 more
  • 4EWQ · Human P38 alpha MAPK in complex with a pyridazine based inhibitor · MWL A402 · binds TYR35, VAL38, ALA51, VAL52, LYS53, LEU75, ILE84, LEU104 and 10 more

Residues it binds most

LEU 2, LYS 4, THR 4, VAL 2, ALA 2, ARG 2, ASN 2, ASP 2, GLN 2, GLU 2 (residue and the binding sites it lines).

Found with

  • GG5 · 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
  • ZN · Zinc ion
  • CL · Chloride ion
  • ACT · Acetate ion
  • BME · Beta-mercaptoethanol
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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