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BioLiP

PDB CCD ID: PK8
Number of entries in BioLiP: 1
Chemical formula: C5 H4 N O S Zn
InChI: InChI=1S/C5H5NOS.Zn/c7-6-4-2-1-3-5(6)8;/h1-4,8H;/q;+2/p-1
InChIKey: PURMLSMXFJKREH-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
CACTVS 3.385O1[Zn]Sc2cccc[n+]12
OpenEye OEToolkits 2.0.7c1cc[n+]2c(c1)S[Zn]O2
Name:9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene
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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