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Ligand · 15S

15S · N-{(2S)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-oxopropan-2-yl}-2-[(9aR)-7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl]acetamide

15S, N-{(2S)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-oxopropan-2-yl}-2-[(9aR)-7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl]acetamide (C27 H29 F N4 O3, 476.5 g/mol), in the MolNFT structures on GenesisL1…

Component
15S
Formula
C27 H29 F N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

15S in 2 structures; the first of them:

  • 4HHZ · Crystal structure of PARP catalytic domain in complex with novel inhibitors · 15S A401 · binds TYR49, ASP105, LEU108, TRP200, HIS201, GLY202, ARG217, ILE218 and 11 more
  • 4HHZ · Crystal structure of parp catalytic domain in complex with novel inhibitors · 15S A401 · binds TYR49, ASP105, LEU108, TRP200, HIS201, GLY202, ARG217, ILE218 and 11 more

Residues it binds most

TYR 8, ALA 8, GLY 8, ARG 8, ASP 8, GLU 8, HIS 8, ILE 8, LEU 8, LYS 8 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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