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Ligand · 0YB

0YB · 2-(3-bromophenoxy)-4-{(1R)-3,3-dimethyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid

0YB, 2-(3-bromophenoxy)-4-{(1R)-3,3-dimethyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid (C29 H34 Br N3 O5, 584.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
0YB
Formula
C29 H34 Br N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

0YB in 2 structures; the first of them:

  • 4GFD · Thymidylate kinase (TMK) from S. Aureus in complex with TK-666 · 0YB A301 · binds GLU37, PRO38, ILE47, ARG48, VAL51, LEU52, GLU62, LEU65 and 9 more
  • 4GFD · Thymidylate kinase (tmk) from S. aureus in complex with tk-666 · 0YB A301 · binds GLU37, PRO38, ILE47, ARG48, VAL51, LEU52, GLU62, LEU65 and 9 more

Residues it binds most

ARG 4, SER 4, GLU 4, LEU 4, TYR 4, GLN 4, ILE 4, PHE 4, PRO 4, VAL 4 (residue and the binding sites it lines).

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