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BioLiP

PDB CCD ID: JAB
Number of entries in BioLiP: 2
Chemical formula: C4 H4 N2 O S
InChI: InChI=1S/C4H4N2OS/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)
InChIKey: CEDRGDFENMZKCQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnoc1C(=S)N
CACTVS 3.385NC(=S)c1oncc1
Name:1,2-oxazole-5-carbothioamide
ZINC: ZINC000002565045
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)(download the PDF file).
  • 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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