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BioLiP

PDB CCD ID: BIH
Number of entries in BioLiP: 5
Chemical formula: C10 H8 O6 S2
InChI: InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)
InChIKey: FITZJYAVATZPMJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[S](=O)(=O)c1ccc2cc(ccc2c1)[S](O)(=O)=O
OpenEye OEToolkits 1.5.0c1cc(cc2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O
ACDLabs 10.04O=S(=O)(O)c1ccc2c(c1)ccc(c2)S(=O)(=O)O
Name:NAPHTHALENE-2,6-DISULFONIC ACID;
2,6-NAPHTHALENEDISULFONIC ACID;
2,6-NAPHTHALENEDISULPHONIC ACID
ChEMBL: CHEMBL1206869
DrugBank: DB04640
ZINC: ZINC000001669723
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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