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BioLiP Library

PDB CCD ID: 8LL
Number of entries in BioLiP: 2
Chemical formula: C22 H34 N2 O4 S
InChI: InChI=1S/C22H34N2O4S/c1-4-5-6-7-15-27-17-18-28-16-14-23-29(25,26)22-13-9-10-19-20(22)11-8-12-21(19)24(2)3/h8-13,23H,4-7,14-18H2,1-3H3
InChIKey: ZQDZHRAPTBKCCR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCOCCOCCNS(=O)(=O)c1cccc2c1cccc2N(C)C
CACTVS 3.385CCCCCCOCCOCCN[S](=O)(=O)c1cccc2c(cccc12)N(C)C
Name:5-(dimethylamino)-~{N}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide
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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