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Ligand · 5Y6

5Y6 · 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

5Y6, 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (C20 H21 Cl N4 O4 S, 448.9 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB…

Component
5Y6
Formula
C20 H21 Cl N4 O4 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

5Y6 in 1 structure; the first of them:

  • 5HBE · CDK8-CYCC IN COMPLEX WITH 8-[3-Chloro-5-(1-methyl-2,2-dioxo-2… · 5Y6 A401 · binds VAL27, TYR32, VAL35, ALA50, LYS52, ILE79, PHE97, ASP98 and 9 more

Residues it binds most

ALA 1, ASP 1, TYR 1, VAL 1, ARG 1, HIS 1, ILE 1, LEU 1, LYS 1, PHE 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • FMT · Formic acid

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