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Ligand · OBQ

OBQ · (3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one

OBQ, (3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one (C21 H22 N2 O6, 398.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
OBQ
Formula
C21 H22 N2 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

OBQ in 2 structures; the first of them:

  • 6Y6D · Tubulin-7-Aminonoscapine complex · OBQ B503 · binds THR179, ALA180, VAL181, TYR202, VAL238, CYS241, LEU242, LEU248 and 13 more
  • 6Y6D · Tubulin-7-aminonoscapine complex · OBQ B503 · binds THR179, ALA180, VAL181, TYR202, VAL238, CYS241, LEU242, LEU248 and 13 more

Residues it binds most

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

Found with

  • ACP · Phosphomethylphosphonic acid adenylate ester
  • GDP · Guanosine-5'-diphosphate
  • GTP · Guanosine-5'-triphosphate
  • CA · Calcium ion
  • MG · Magnesium ion
  • GOL · Glycerol
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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