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BioLiP

PDB CCD ID: LZ2
Number of entries in BioLiP: 9
Chemical formula: C10 H9 N O3 S
InChI: InChI=1S/C10H9NO3S/c11-15(13,14)10-6-2-3-7-8(10)4-1-5-9(7)12/h1-6,12H,(H2,11,13,14)
InChIKey: NFVBVKHGDDDCEA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[S](=O)(=O)c1cccc2c(O)cccc12
ACDLabs 10.04O=S(=O)(c1cccc2c1cccc2O)N
OpenEye OEToolkits 1.5.0c1cc2c(cccc2S(=O)(=O)N)c(c1)O
Name:5-hydroxynaphthalene-1-sulfonamide
ChEMBL: CHEMBL457047
DrugBank: DB08132
ZINC: ZINC000002242749
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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