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BioLiP

PDB CCD ID: EVF
Number of entries in BioLiP: 18
Chemical formula: C7 H6 N2 O2 S2
InChI: InChI=1S/C7H6N2O2S2/c8-13(10,11)7-9-5-3-1-2-4-6(5)12-7/h1-4H,(H2,8,10,11)
InChIKey: SDYMYAFSQACTQP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccc2c(c1)nc(s2)S(=O)(=O)N
CACTVS 3.370N[S](=O)(=O)c1sc2ccccc2n1
ACDLabs 12.01O=S(=O)(c1nc2ccccc2s1)N
Name:1,3-benzothiazole-2-sulfonamide
ChEMBL: CHEMBL168552
ZINC: ZINC000001847418
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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