SEQ2FUN

BioLiP

PDB CCD ID: 4V2
Number of entries in BioLiP: 2
Chemical formula: C8 H6 N2 O2 S
InChI: InChI=1S/C8H6N2O2S/c11-6-3-1-2-5(4-6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)
InChIKey: CNOGHDSTUCQSOV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(cc(c1)O)c2nnc(o2)S
ACDLabs 12.01Sc1nnc(o1)c2cc(O)ccc2
CACTVS 3.385Oc1cccc(c1)c2oc(S)nn2
Name:3-(5-MERCAPTO-1,3,4-OXADIAZOL-2-YL)-PHENOL
ChEMBL: CHEMBL595356
ZINC: ZINC000001605604
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).