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Ligand · 3BD

3BD · 7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide

3BD, 7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide (C20 H25 N9 O, 407.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
3BD
Formula
C20 H25 N9 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3BD in 2 structures; the first of them:

  • 3BAB · Structural Basis for the Inhibition of Bacterial NAD+ Dependent DNA Ligase · 3BD A501 · binds TYR87, SER88, LEU89, GLU118, LEU119, LYS120, ILE121, ALA125 and 9 more
  • 3BAB · Structural basis for the inhibition of bacterial NAD+ dependent DNA ligase · 3BD A501 · binds TYR87, SER88, LEU89, GLU118, LEU119, LYS120, ILE121, ALA125 and 9 more

Residues it binds most

ALA 2, GLU 2, LEU 2, LYS 2, TYR 2, ARG 2, ILE 2, PRO 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • NMN · Beta-nicotinamide ribose monophosphate
  • SO4 · Sulfate ion
  • GOL · Glycerol

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