SEQ2FUN

BioLiP

PDB CCD ID: GH0
Number of entries in BioLiP: 4
Chemical formula: C2 H7 N O4 S
InChI: InChI=1S/C2H7NO4S/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)
InChIKey: WSYUEVRAMDSJKL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCCO[S](O)(=O)=O
OpenEye OEToolkits 2.0.7C(COS(=O)(=O)O)N
Name:2-azanylethyl hydrogen sulfate
ChEMBL: CHEMBL341858
ZINC: ZINC000003860168
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).