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Ligand · 3BA

3BA · 7-amino-2-tert-butyl-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide

3BA, 7-amino-2-tert-butyl-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide (C17 H22 N8 O, 354.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
3BA
Formula
C17 H22 N8 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3BA in 2 structures; the first of them:

  • 3BAA · Structural Basis for the Inhibition of Bacterial NAD+ Dependent DNA Ligase · 3BA A501 · binds MET86, TYR87, SER88, LEU89, GLU118, LEU119, LYS120, ILE121 and 11 more
  • 3BAA · Structural basis for the inhibition of bacterial NAD+ dependent DNA ligase · 3BA A501 · binds MET86, TYR87, SER88, LEU89, GLU118, LEU119, LYS120, ILE121 and 11 more

Residues it binds most

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

Found with

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

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