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BioLiP

PDB CCD ID: VJO
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N O4 S
InChI: InChI=1S/C9H11NO4S/c1-15(11,12)10-7-2-3-8-9(6-7)14-5-4-13-8/h2-3,6,10H,4-5H2,1H3
InChIKey: AUBOIJRZDYWMPQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CS(=O)(=O)Nc1ccc2OCCOc2c1
OpenEye OEToolkits 2.0.7CS(=O)(=O)Nc1ccc2c(c1)OCCO2
CACTVS 3.385C[S](=O)(=O)Nc1ccc2OCCOc2c1
Name:N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
ZINC: ZINC000003947380
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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