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Ligand · JOV

JOV · 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

JOV, 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (C11 H14 Cl N O2, 227.7 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
JOV
Formula
C11 H14 Cl N O2
Class
ligand
Structures
8
PDB entries
6

Binding sites

JOV in 8 structures; the first of them:

  • 5QFN · PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with… · JOV A401 · binds LYS103, SER104, ARG105, THR168, ARG169, GLU170, ILE171
  • 5SA8 · PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex… · JOV A401 · binds LEU200, GLN201, PHE258, PRO262, PHE263, GLU264, LEU265, ALA283
  • 5QFN · Pandda analysis group deposition -- crystal structure of PTP1B in complex with… · JOV A401 · binds LYS103, SER104, THR168, ARG169, GLU170
  • 5R5H · Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with… · JOV A401 · binds LYS60, TYR87, PHE90, PRO120, GLU145, HIS156, GLU247
  • 5RMJ · Pandda analysis group deposition -- crystal structure of SARS-cov-2 helicase in complex… · JOV B701 · binds PHE472, MET474, VAL495, GLU498, PHE499, ARG502, ASN503, LEU590 and 2 more
  • 5RXO · INPP5D pandda analysis group deposition -- crystal structure of the phosphatase and C2… · JOV A901 · binds LYS477, THR478, VAL479, ALA480, GLU498, ILE501, ILE504
  • 5SA8 · Pandda analysis group deposition -- crystal structure of SARS-cov-2 nendou in complex… · JOV A401 · binds GLN201, PHE258, PRO262, PHE263, GLU264, LEU265, ALA283
  • 6T3G · 3C-like protease from southampton virus complexed with FMOPL000324A. · JOV A201 · binds LYS11, PHE12, GLY13, SER14, PRO33

Residues it binds most

PHE 9, GLU 11, LEU 8, PRO 7, THR 5, ASN 4, GLN 6, ALA 5, ILE 4, LYS 5 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • PO4 · Phosphate ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
  • ZN · Zinc ion

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