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BioLiP

PDB CCD ID: WW6
Number of entries in BioLiP: 1
Chemical formula: C15 H19 Cl N2 O2 S
InChI: InChI=1S/C15H19ClN2O2S/c16-14-8-4-7-13-12(14)6-5-9-15(13)21(19,20)18-11-3-1-2-10-17/h4-9,18H,1-3,10-11,17H2
InChIKey: SYLYAVTWUBDUGM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12
OpenEye OEToolkits 2.0.7c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCN
ACDLabs 12.01NCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl
Name:N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide
ZINC: ZINC000002169539
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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