SEQ2FUN

BioLiP

PDB CCD ID: UJD
Number of entries in BioLiP: 9
Chemical formula: C4 H6 O2 S2
InChI: InChI=1S/C4H6O2S2/c5-3(6)4-7-1-2-8-4/h4H,1-2H2,(H,5,6)
InChIKey: DSOVOUOPKYLGID-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C1SCCS1
OpenEye OEToolkits 2.0.7C1CSC(S1)C(=O)O
ACDLabs 12.01C(C1SCCS1)(O)=O
Name:1,3-dithiolane-2-carboxylic acid
ChEMBL: CHEMBL1982694
ZINC: ZINC000001684251
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).