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BioLiP

PDB CCD ID: 21D
Number of entries in BioLiP: 5
Chemical formula: C10 H8 O6 S2
InChI: InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
InChIKey: XTEGVFVZDVNBPF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[S](=O)(=O)c1cccc2c1cccc2[S](O)(=O)=O
OpenEye OEToolkits 1.7.6c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O
ACDLabs 12.01O=S(=O)(O)c1cccc2c1cccc2S(=O)(=O)O
Name:naphthalene-1,5-disulfonic acid
ZINC: ZINC000001605332
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)(download the PDF file).
  • 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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