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BioLiP

PDB CCD ID: VYO
Number of entries in BioLiP: 2
Chemical formula: C5 H7 N3 O2 S2
InChI: InChI=1S/C5H7N3O2S2/c1-10-3(9)2-11-5-8-7-4(6)12-5/h2H2,1H3,(H2,6,7)
InChIKey: ASSFIPIQXCHMOD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)CSc1sc(N)nn1
OpenEye OEToolkits 2.0.7COC(=O)CSc1nnc(s1)N
ACDLabs 12.01O=C(OC)CSc1nnc(N)s1
Name:methyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
ZINC: ZINC000005719883
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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