SEQ2FUN

BioLiP

PDB CCD ID: SXS
Number of entries in BioLiP: 1
Chemical formula: C7 H6 N2 O3 S
InChI: InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10)
InChIKey: SSRKZHLPNHLAKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2c1ccc(cc1S(=O)(=O)N2)N
OpenEye OEToolkits 1.7.6c1cc2c(cc1N)S(=O)(=O)NC2=O
CACTVS 3.385Nc1ccc2C(=O)N[S](=O)(=O)c2c1
Name:6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide
ChEMBL: CHEMBL2016952
ZINC: ZINC000005421052
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).