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Ligand · O41

O41 · 5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide

O41, 5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide (C13 H19 N3 O4 S, 313.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
O41
Formula
C13 H19 N3 O4 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

O41 in 1 structure; the first of them:

  • 6P7Z · Co-crystal structure of human SMYD3 with isoxazole amides inhibitors · O41 A507 · binds CYS180, ASN181, SER182, PHE183, THR184, CYS186, MET190, ILE237 and 6 more

Residues it binds most

CYS 1, TYR 1, ASN 1, HIS 1, ILE 1, MET 1, PHE 1, PRO 1, SAM 1, SER 1 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion

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