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Ligand · H1O

H1O · 2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{H}-benzimidazole

H1O, 2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{H}-benzimidazole (C25 H23 N3 O3, 413.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
H1O
Formula
C25 H23 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

H1O in 2 structures; the first of them:

  • 7DBA · RYX in complex with tubulin · H1O B505 · binds ASN101, THR179, ALA180, VAL181, VAL236, CYS239, LEU240, LEU246 and 18 more
  • 7DBA · Ryx in complex with tubulin · H1O B505 · binds THR179, ALA180, VAL181, VAL236, CYS239, LEU240, LEU246, ASN247 and 11 more

Residues it binds most

ASN 2, LEU 2, VAL 2, ALA 2, ILE 2, LYS 2, THR 2, ASP 2, CYS 2, MET 2 (residue and the binding sites it lines).

Found with

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

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