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BioLiP

PDB CCD ID: GL3
Number of entries in BioLiP: 0
Chemical formula: C2 H5 N O S
InChI: InChI=1S/C2H5NOS/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKey: CYFJIBWZIQDUSZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NCC(S)=O
OpenEye OEToolkits 1.5.0C(C(=O)S)N
ACDLabs 10.04O=C(S)CN
Name:THIOGLYCIN
ChEMBL: CHEMBL1233056
ZINC: ZINC000032155850
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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