SEQ2FUN

BioLiP

PDB CCD ID: P92
Number of entries in BioLiP: 1
Chemical formula: C7 H5 N O S
InChI: InChI=1S/C7H5NOS/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,10)
InChIKey: FLFWJIBUZQARMD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385S=C1Nc2ccccc2O1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)NC(=S)O2
Name:3~{H}-1,3-benzoxazole-2-thione
ChEMBL: CHEMBL113414
ZINC: ZINC000012341569
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).