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BioLiP

PDB CCD ID: MWP
Number of entries in BioLiP: 2
Chemical formula: C8 H7 N O2 S
InChI: InChI=1S/C8H7NO2S/c9-7-2-1-6-3-4-12(10,11)8(6)5-7/h1-5H,9H2
InChIKey: KRUCRVZSHWOMHC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S2(=O)c1cc(ccc1C=C2)N
OpenEye OEToolkits 1.7.6c1cc2c(cc1N)S(=O)(=O)C=C2
CACTVS 3.370Nc1ccc2C=C[S](=O)(=O)c2c1
Name:1-benzothiophen-6-amine 1,1-dioxide;
6-amino-benzothiophene-1,1-dione
ZINC: ZINC000000162015
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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