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Ligand · 0TI

0TI · (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one

0TI, (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one (C8 H6 F N O2, 167.1 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 residues it binds most…

Component
0TI
Formula
C8 H6 F N O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

0TI in 3 structures; the first of them:

  • 5FZH · Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge… · 0TI A1770 · binds VAL99, TYR425, ALA427, TYR488, PHE496, ASN509, LYS517, ASN591 and 1 more
  • 7GS5 · Crystal structure of SARS-CoV-2 main protease in complex with cpd-28 · 0TI A401 · binds LEU27, HIS41, ASN142, GLY143, SER144, CYS145, HIS164, MET165 and 1 more
  • 5FZH · Crystal structure of the catalytic domain of human JARID1B in complex with maybridge… · 0TI A1770 · binds VAL99, TYR425, ALA427, TYR488, PHE496, ASN509, LYS517, ASN591 and 1 more

Residues it binds most

ASN 4, HIS 3, TYR 3, ALA 2, CYS 3, LEU 3, ARG 1, GLN 2, GLY 2, LYS 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • MN · Manganese (II) ion
  • ZN · Zinc ion
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
  • MG · Magnesium ion
  • SO4 · Sulfate ion

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