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Ligand · 9BA

9BA · N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide

9BA, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide (C28 H44 N8 O5, 572.7 g/mol), in the MolNFT structures on GenesisL1…

Component
9BA
Formula
C28 H44 N8 O5
Class
ligand
Structures
1
PDB entries
1

Binding sites

9BA in 1 structure; the first of them:

  • 5VFC · WDR5 bound to inhibitor mm-589 · 9BA A401 · binds ALA47, VAL48, SER49, ALA65, GLY89, ILE90, SER91, ASP92 and 11 more

Residues it binds most

SER 1, ALA 1, ASP 1, CYS 1, ILE 1, PHE 1, TYR 1, GLY 1, LEU 1, LYS 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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