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Ligand · 9D0

9D0 · N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide

9D0, N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide (C23 H30 N4 O2 S, 426.6 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its…

Component
9D0
Formula
C23 H30 N4 O2 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

9D0 in 3 structures; the first of them:

  • 5ZHN · Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site… · 9D0 A301 · binds LEU92, SER93, PRO94, GLN95, GLY118, ARG119, TYR120, TRP136 and 18 more
  • 5ZHL · Crystal structure of trmd from mycobacterium tuberculosis in complex with active-site… · 9D0 A301 · binds PRO57, PRO83, THR84, PRO85, GLU112, VAL131, SER132, ILE133 and 7 more
  • 5ZHN · Crystal structure of trmd from pseudomonas aeruginosa in complex with active-site… · 9D0 A301 · binds LEU92, SER93, PRO94, ARG119, TYR120, TRP136, SER137, ILE138 and 14 more

Residues it binds most

GLY 5, LEU 5, SER 5, PRO 5, ASP 4, TYR 5, VAL 5, ILE 5, ARG 2, TRP 4 (residue and the binding sites it lines).

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