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Ligand · 2RR

2RR · 3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile

2RR, 3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile (C20 H17 N7 O2, 387.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
2RR
Formula
C20 H17 N7 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

2RR in 2 structures; the first of them:

  • 4O2A · Tubulin-BAL27862 complex · 2RR B504 · binds ASN101, SER178, THR179, ALA180, VAL181, TYR202, VAL238, CYS241 and 16 more
  • 4O2A · Tubulin-BAL27862 complex · 2RR B504 · binds ASN101, SER178, THR179, ALA180, VAL181, TYR202, VAL238, CYS241 and 16 more

Residues it binds most

ASN 4, VAL 4, ALA 4, ILE 4, LEU 4, LYS 4, THR 4, CYS 4, MET 4, SER 4 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • GDP · Guanosine-5'-diphosphate
  • GTP · Guanosine-5'-triphosphate
  • CA · Calcium ion
  • MG · Magnesium ion
  • CL · Chloride ion
  • GOL · Glycerol
  • IMD · Imidazole
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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