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BioLiP

PDB CCD ID: HO6
Number of entries in BioLiP: 3
Chemical formula: C10 H8 N2 O2 S2
InChI: InChI=1S/C10H8N2O2S2/c1-6-2-4-7(5-3-6)15-10-8(9(13)14)11-12-16-10/h2-5H,1H3,(H,13,14)
InChIKey: PNOGJHWZHLJICV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2Cc1ccc(cc1)Sc2c(nns2)C(=O)O
CACTVS 3.370Cc1ccc(Sc2snnc2C(O)=O)cc1
ACDLabs 12.01O=C(O)c2nnsc2Sc1ccc(cc1)C
Name:5-[(4-methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid;
4-carboxy-5-[(4-chlorophenyl)sulfanyl]-1, 2, 3-thiadiazole
ZINC: ZINC000095921151
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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