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BioLiP

PDB CCD ID: MHK
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N O2 S
InChI: InChI=1S/C10H9NO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
InChIKey: ZFIFHAKCBWOSRN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cccc2S(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)c1cccc2ccccc12
Name:naphthalene-1-sulfonamide
ChEMBL: CHEMBL6648
ZINC: ZINC000000616529
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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