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BioLiP

PDB CCD ID: D9Z
Number of entries in BioLiP: 3
Chemical formula: C8 H6 Cl N3 O2 S2
InChI: InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)
InChIKey: PZVGOWIIHCUHAO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)c2nnc(s2)S(=O)(=O)N)Cl
CACTVS 3.341N[S](=O)(=O)c1sc(nn1)c2ccccc2Cl
ACDLabs 10.04O=S(=O)(c1nnc(s1)c2c(Cl)cccc2)N
Name:5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
ChEMBL: CHEMBL360356
DrugBank: DB07632
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).
  • 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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