SEQ2FUN

BioLiP

PDB CCD ID: IWT
Number of entries in BioLiP: 2
Chemical formula: C8 H6 N2 O S
InChI: InChI=1S/C8H6N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h1-5H,(H,10,12)
InChIKey: FOHWXVBZGSVUGO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Sc1oc(nn1)c2ccccc2
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2nnc(o2)S
Name:5-PHENYL-1,3,4-OXADIAZOLE-2-THIOL
ChEMBL: CHEMBL1164316
ZINC: ZINC000000395525
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).