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Ligand · 20M

20M · N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide

20M, N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide (C22 H28 N6 O4 S2, 504.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
20M
Formula
C22 H28 N6 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

20M in 2 structures; the first of them:

  • 4LVA · Fragment-based Identification of Amides Derived From… · 20M A601 · binds TYR188, HIS191, PHE193, ARG196, ASP219, SER241, VAL242, PRO243 and 9 more
  • 4LVA · Fragment-based identification of amides derived from trans-2-(pyridin… · 20M A601 · binds TYR188, HIS191, PHE193, ARG196, ASP219, SER241, VAL242, PRO243 and 9 more

Residues it binds most

ALA 4, ARG 4, ILE 4, PRO 4, SER 4, TYR 4, ASP 4, HIS 4, PHE 4, VAL 4 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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