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BioLiP

PDB CCD ID: Z3R
Number of entries in BioLiP: 2
Chemical formula: C11 H8 N2 O2 S3
InChI: InChI=1S/C11H8N2O2S3/c12-18(14,15)10-5-7(6-16-10)11-13-8-3-1-2-4-9(8)17-11/h1-6H,(H2,12,14,15)
InChIKey: GKGZVFYMXSXLJJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1scc(c1)c2sc3ccccc3n2
ACDLabs 12.01O=S(=O)(N)c3scc(c1nc2ccccc2s1)c3
OpenEye OEToolkits 1.9.2c1ccc2c(c1)nc(s2)c3cc(sc3)S(=O)(=O)N
Name:4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
ChEMBL: CHEMBL2069711
ZINC: ZINC000038247838
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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