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Ligand · OWH

OWH · ~{N}-methylpyridine-3-carbothioamide

OWH, ~{N}-methylpyridine-3-carbothioamide (C7 H8 N2 S, 152.2 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 and the ligands…

Component
OWH
Formula
C7 H8 N2 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

OWH in 3 structures; the first of them:

  • 7PJQ · Crystal structure of YTHDC1 with compound T96 · OWH A601 · binds ASN363, ASN367, TRP377, SER378, THR379, LEU380, TRP428, VAL429 and 5 more
  • 6YL0 · Crystal structure of YTHDC1 with compound T_96 · OWH A601 · binds ASN363, ASN367, TRP377, SER378, THR379, LEU380, TRP428, LEU430 and 4 more
  • 7PJQ · Crystal structure of YTHDC1 with compound T96 · OWH A601 · binds ASN363, ASN367, TRP377, SER378, THR379, LEU380, TRP428, LEU430 and 4 more

Residues it binds most

LEU 6, TRP 6, ASN 6, ASP 6, MET 6, SER 6, THR 6, PRO 5, VAL 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • PEG · Di(hydroxyethyl)ether

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