GL1X · GenesisL1 explorer

Ligand · 8WD

8WD · N-{(3-endo)-8-[(trans-4-aminocyclohexyl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide

8WD, N-{(3-endo)-8-[(trans-4-aminocyclohexyl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide (C20 H30 N4 O4 S, 422.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
8WD
Formula
C20 H30 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

8WD in 2 structures; the first of them:

  • 5V37 · Crystal structure of SMYD3 with SAM and EPZ028862 · 8WD A505 · binds CYS180, ASN181, SER182, PHE183, THR184, CYS186, MET190, GLU192 and 9 more
  • 5V37 · Crystal structure of SMYD3 with SAM and EPZ028862 · 8WD A505 · binds CYS180, ASN181, SER182, PHE183, THR184, MET190, GLU192, ILE237 and 7 more

Residues it binds most

CYS 2, TYR 2, ILE 2, ASN 2, ASP 2, GLU 2, LEU 2, MET 2, PHE 2, SER 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether
  • SAM · S-adenosylmethionine

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