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Ligand · C16

C16 · 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile

C16, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile (C16 H10 N2 O2, 262.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
C16
Formula
C16 H10 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

C16 in 2 structures; the first of them:

  • 3BNZ · Crystal structure of Thymidylate Synthase ternary complex with dUMP and 8A inhibitor · C16 A318 · binds GLU60, ILE81, TRP82, GLU84, TRP85, LEU224, GLY225, PHE228 and 2 more
  • 3BNZ · Crystal structure of thymidylate synthase ternary complex with dump and 8A inhibitor · C16 A318 · binds GLU60, ILE81, TRP82, GLU84, TRP85, LEU224, GLY225, PHE228 and 2 more

Residues it binds most

GLU 2, TRP 2, ASN 2, GLY 2, ILE 2, LEU 2, PHE 2, VAL 2 (residue and the binding sites it lines).

Found with

  • UMP · 2'-deoxyuridine 5'-monophosphate
  • PO4 · Phosphate ion

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