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BioLiP

PDB CCD ID: WW9
Number of entries in BioLiP: 1
Chemical formula: C17 H23 Cl N2 O2 S
InChI: InChI=1S/C17H23ClN2O2S/c18-16-10-6-9-15-14(16)8-7-11-17(15)23(21,22)20-13-5-3-1-2-4-12-19/h6-11,20H,1-5,12-13,19H2
InChIKey: YQJOLFJTZRVABX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCCCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12
ACDLabs 12.01NCCCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl
OpenEye OEToolkits 2.0.7c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCCN
Name:N-(7-aminoheptyl)-5-chloronaphthalene-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).
  • 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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