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Ligand · 53D

53D · 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide

53D, 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide (C24 H34 F N5 O2, 443.6 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (6 PDB entries). Every…

Component
53D
Formula
C24 H34 F N5 O2
Class
ligand
Structures
8
PDB entries
6

Binding sites

53D in 8 structures; the first of them:

  • 7FHI · Interaction between a fluoroquinolone derivative and RNAs with a single bulge · 53D A101 · binds U4, G5, C15, C16, A17
  • 7FJ0 · Interaction between a fluoroquinolone derivative and RNAs with a single bulge · 53D A101 · binds U4, G5, C15, G16, A17
  • 8I43 · Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3'… · 53D A20 · binds C4, G5, C6, C14, C15, G16
  • 8I44 · Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3'… · 53D A20 · binds U4, G5, C15, A16, U17
  • 8I45 · Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3'… · 53D A20 · binds C4, G5, C14, G15, G16
  • 8I46 · Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3'… · 53D A20 · binds U4, G5, C14, G15, A16
  • 7FHI · Interaction between a fluoroquinolone derivative and rnas with a single bulge · 53D A101 · binds U4, G5, C15, C16, A17
  • 7FJ0 · Interaction between a fluoroquinolone derivative and rnas with a single bulge · 53D A101 · binds U4, G5, C15, G16, A17

Residues it binds most

C 8, G 8, U 6, A 6 (residue and the binding sites it lines).

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