GL1X · GenesisL1 explorer

Ligand · I8R

I8R · 2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol

I8R, 2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol (C19 H21 N O5 S, 375.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
I8R
Formula
C19 H21 N O5 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

I8R in 3 structures; the first of them:

  • 7Z01 · Z-SBTubA4 photoswitch bound to tubulin-DARPin D1 complex · I8R B502 · binds THR179, ALA180, VAL181, GLY237, VAL238, CYS241, LEU242, LEU248 and 13 more
  • 8CLA · Z-SBTubA4 photoswitch bound to tubulin-DARPin D1 complex · I8R B502 · binds THR179, ALA180, VAL181, GLY237, VAL238, THR239, THR240, CYS241 and 20 more
  • 7Z01 · Z-SBTUBA4 photoswitch bound to tubulin-darpin D1 complex · I8R B502 · binds THR179, ALA180, VAL181, GLY237, VAL238, THR239, CYS241, LEU242 and 17 more

Residues it binds most

ALA 3, VAL 3, ASN 3, LEU 3, THR 3, ILE 3, LYS 3, CYS 3, GLY 3, 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

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