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Ligand · S0V

S0V · morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone

S0V, morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone (C7 H9 N3 O2 S, 199.2 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…

Component
S0V
Formula
C7 H9 N3 O2 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

S0V in 3 structures; the first of them:

  • 5R5A · PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with… · S0V A401 · binds LYS60, TYR87, PHE90, PRO120, HIS156
  • 7HLU · PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z741055844 · S0V B201 · binds PRO101, GLU102, TRP106, PHE160, SER161, GLU162, CYS163, VAL164
  • 5R5A · Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with… · S0V A401 · binds LYS60, TYR87, PHE90, PRO120, HIS156

Residues it binds most

PHE 4, TYR 3, PRO 3, ASN 1, GLU 1, HIS 2, LYS 2, SER 2, TRP 2, CYS 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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