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Ligand · XEA

XEA · (3R)-1,2-oxazolidine-3-carbonitrile

XEA, (3R)-1,2-oxazolidine-3-carbonitrile (C4 H6 N2 O, 98.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
XEA
Formula
C4 H6 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

XEA in 2 structures; the first of them:

  • 5S7E · XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010930a · XEA B505 · binds ASN456, PRO458, ASN459
  • 5S7E · Xchem group deposition -- crystal structure of human ACVR1 in complex with FM010930A · XEA B505 · binds PRO458, ASN459

Residues it binds most

ASN 2, PRO 2 (residue and the binding sites it lines).

Found with

  • LU8 · 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • TLA · L(+)-tartaric acid

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