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Ligand · 35J

35J · N-(pyridin-3-ylmethyl)thioformamide

35J, N-(pyridin-3-ylmethyl)thioformamide (C7 H8 N2 S, 152.2 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
35J
Formula
C7 H8 N2 S
Class
ligand
Structures
5
PDB entries
3

Binding sites

35J in 5 structures; the first of them:

  • 4TRF · Crystal structure of Macrophage Migration Inhibitory Factor in complex with… · 35J A201 · binds PRO1, MET2, LYS32, TYR36, HIS62, SER63, ILE64, PHE113 and 1 more
  • 7NTQ · Crystal structure of the SARS-CoV-2 Main Protease complexed with… · 35J A401 · binds LEU27, HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 5 more
  • 8AEB · SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide · 35J A402 · binds LEU27, HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 5 more
  • 4TRF · Crystal structure of macrophage migration inhibitory factor in complex with… · 35J A201 · binds PRO1, MET2, LYS32, TYR36, HIS62, SER63, ILE64, PHE113 and 1 more
  • 7NTQ · Crystal structure of the SARS-cov-2 main protease complexed with N… · 35J A401 · binds LEU27, HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 5 more

Residues it binds most

HIS 9, TYR 6, MET 9, PHE 9, SER 9, ILE 6, LEU 3, PRO 6, LYS 4, ASN 3 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide
  • SO4 · Sulfate ion
  • FMT · Formic acid
  • GOL · Glycerol
  • IPA · Isopropyl alcohol

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