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Ligand · 4LP

4LP · 1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one

4LP, 1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one (C28 H26 F N5 O3, 499.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
4LP
Formula
C28 H26 F N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

4LP in 2 structures; the first of them:

  • 5AXQ · Crystal structure of the catalytic domain of PDE10A complexed with highly potent and… · 4LP A1003 · binds TYR514, HIS515, ASP624, LEU625, ALA626, PHE629, ASP664, LEU665 and 8 more
  • 5AXQ · Crystal structure of the catalytic domain of PDE10A complexed with highly potent and… · 4LP A1003 · binds TYR514, HIS515, ASP624, LEU625, ALA626, PHE629, ASP664, LEU665 and 8 more

Residues it binds most

PHE 2, ASP 2, LEU 2, TYR 2, ALA 2, GLN 2, GLY 2, HIS 2, ILE 2, MET 2 (residue and the binding sites it lines).

Found with

  • 4LK · 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
  • MG · Magnesium ion
  • ZN · Zinc ion

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