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BioLiP

PDB CCD ID: U88
Number of entries in BioLiP: 11
Chemical formula: C3 H2 N2 O2 S
InChI: InChI=1S/C3H2N2O2S/c6-5(7)3-1-4-2-8-3/h1-2H
InChIKey: VVVCJCRUFSIVHI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(scn1)N(=O)=O
CACTVS 3.385O=[N](=O)c1scnc1
Name:5-nitro-1,3-thiazole;
halicin
ChEMBL: CHEMBL4065457
ZINC: ZINC000012471766
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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