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Ligand · DS9

DS9 · (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one

DS9, (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one (C16 H15 F N4 O, 298.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every…

Component
DS9
Formula
C16 H15 F N4 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

DS9 in 3 structures; the first of them:

  • 7CMW · Complex structure of PARP1 catalytic domain with pamiparib · DS9 A1101 · binds GLU763, ASP766, TRP861, HIS862, GLY863, TYR889, TYR896, PHE897 and 6 more
  • 8HKS · Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to… · DS9 A603 · binds SER328, GLN332, GLU335, HIS428, GLY429, TYR455, TYR462, PHE463 and 6 more
  • 7CMW · Complex structure of PARP1 catalytic domain with pamiparib · DS9 A1101 · binds GLU763, ASP766, TRP861, HIS862, GLY863, TYR889, TYR896, PHE897 and 6 more

Residues it binds most

TYR 8, GLU 8, SER 8, ALA 8, ASN 8, GLY 8, HIS 8, LYS 8, PHE 8, TRP 5 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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