SEQ2FUN

BioLiP

PDB CCD ID: A1EBN
Number of entries in BioLiP: 1
Chemical formula: C11 H9 Cl N S2
InChI: InChI=1S/C11H9ClNS2/c12-9-3-1-8(2-4-9)10-7-15-11-13(10)5-6-14-11/h1-4,7H,5-6H2/q+1
InChIKey: XBGDFKDRBGVDQS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1c2csc3[n+]2CCS3)Cl
CACTVS 3.385Clc1ccc(cc1)c2csc3SCC[n+]23
Name:3-(4-chlorophenyl)-5,6-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium;
Enamine_000825
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).