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BioLiP

PDB CCD ID: P2M
Number of entries in BioLiP: 2
Chemical formula: C16 H14 N2 O2 S
InChI: InChI=1S/C16H14N2O2S/c19-21(20,18-12-14-8-3-4-11-17-14)16-10-5-7-13-6-1-2-9-15(13)16/h1-11,18H,12H2
InChIKey: LYUIYUXDRYTIOE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccccn3
CACTVS 3.370O=[S](=O)(NCc1ccccn1)c2cccc3ccccc23
ACDLabs 12.01O=S(=O)(NCc1ncccc1)c3c2ccccc2ccc3
Name:N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
ZINC: ZINC000000313574
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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