SEQ2FUN

BioLiP

PDB CCD ID: GBD
Number of entries in BioLiP: 1
Chemical formula: C3 H2 N2 O3 S
InChI: InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
InChIKey: FVZITYNLUYJDOE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1(c(nsn1)O)C(=O)O
CACTVS 3.341OC(=O)c1nsnc1O
ACDLabs 10.04O=C(O)c1nsnc1O
Name:4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID
ChEMBL: CHEMBL1232973
DrugBank: DB03162
ZINC: ZINC000006523896

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).