SEQ2FUN

BioLiP

PDB CCD ID: EUF
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N S3
InChI: InChI=1S/C9H9NS3/c1-2-11-13-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3
InChIKey: JJOOBYVUSPDHJX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCSSc1sc2ccccc2n1
OpenEye OEToolkits 2.0.7CCSSc1nc2ccccc2s1
Name:2-(ethyldisulfanyl)-1,3-benzothiazole
ChEMBL: CHEMBL4635138
ZINC: ZINC000139000010
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).