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BioLiP

PDB CCD ID: VO5
Number of entries in BioLiP: 2
Chemical formula: C9 H13 N O3 S
InChI: InChI=1S/C9H13NO3S/c1-3-10-14(11,12)9-7-5-4-6-8(9)13-2/h4-7,10H,3H2,1-2H3
InChIKey: WLSLKKLIABBOLC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCNS(=O)(=O)c1ccccc1OC
ACDLabs 12.01O=S(=O)(NCC)c1ccccc1OC
CACTVS 3.385CCN[S](=O)(=O)c1ccccc1OC
Name:N-ethyl-2-methoxybenzene-1-sulfonamide
ZINC: ZINC000037022059
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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