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BioLiP

PDB CCD ID: NAS
Number of entries in BioLiP: 0
Chemical formula: C10 H8 O3 S
InChI: InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)
InChIKey: KVBGVZZKJNLNJU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2cc(ccc2c1)S(=O)(=O)O
ACDLabs 10.04O=S(=O)(O)c2ccc1c(cccc1)c2
CACTVS 3.341O[S](=O)(=O)c1ccc2ccccc2c1
Name:2-NAPHTHALENESULFONIC ACID
ChEMBL: CHEMBL1234624
DrugBank: DB08254
ZINC: ZINC000001554037
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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