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BioLiP

PDB CCD ID: EUE
Number of entries in BioLiP: 4
Chemical formula: C8 H8 N2 O2 S2
InChI: InChI=1S/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10)
InChIKey: ZYHNHJAMVNINSY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)c1ccc2nc(N)sc2c1
OpenEye OEToolkits 2.0.6CS(=O)(=O)c1ccc2c(c1)sc(n2)N
Name:6-methylsulfonyl-1,3-benzothiazol-2-amine
ChEMBL: CHEMBL432942
ZINC: ZINC000000129448
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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