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BioLiP

PDB CCD ID: 9UW
Number of entries in BioLiP: 3
Chemical formula: C3 H2 N2 O S
InChI: InChI=1S/C3H2N2OS/c6-2-1-4-3(7)5-2/h1H,(H,5,6,7)
InChIKey: KAKLKODZMNCHIC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1=NC(=S)NC1=O
CACTVS 3.385O=C1NC(=S)N=C1
Name:2-sulfanylideneimidazol-4-one
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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