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BioLiP Library

PDB CCD ID: WW7
Number of entries in BioLiP: 5
Chemical formula: C16 H21 Cl N2 O2 S
InChI: InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
InChIKey: IDEHCMNLNCJQST-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN
ACDLabs 10.04O=S(=O)(c1cccc2c1cccc2Cl)NCCCCCCN
CACTVS 3.341NCCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12
Name:N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE
ChEMBL: CHEMBL41631
DrugBank: DB04513
ZINC: ZINC000001649496
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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