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Ligand · 54N

54N · 8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl) methylamino]-2H-pyrido[3,4-d]pyridazin-1-one

54N, 8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl) methylamino]-2H-pyrido[3,4-d]pyridazin-1-one (C25 H25 F N6 O2, 460.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
54N
Formula
C25 H25 F N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

54N in 2 structures; the first of them:

  • 7P3J · EED in complex with compound 4 · 54N B501 · binds PRO95, PHE97, ASN146, TYR148, ASN194, GLU238, LEU240, ASP310 and 5 more
  • 7P3J · Eed in complex with compound 4 · 54N B501 · binds PRO95, PHE97, ASN146, TYR148, ASN194, LEU240, ASP310, TYR365 and 4 more

Residues it binds most

ARG 2, ASN 2, ASP 2, TYR 2, LEU 2, MET 2, PHE 2, PRO 2, GLU 1 (residue and the binding sites it lines).

Found with

  • L9W · N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
  • MG · Magnesium ion

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