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BioLiP

PDB CCD ID: XV7
Number of entries in BioLiP: 4
Chemical formula: C13 H10 O6 S2
InChI: InChI=1S/C13H10O6S2/c14-20(15,16)10-1-3-12-8(6-10)5-9-7-11(21(17,18)19)2-4-13(9)12/h1-4,6-7H,5H2,(H,14,15,16)(H,17,18,19)
InChIKey: WBJRJWHBYUAEQD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c12c(ccc(S(O)(=O)=O)c1)c3ccc(cc3C2)S(O)(=O)=O
CACTVS 3.385O[S](=O)(=O)c1ccc2c(Cc3cc(ccc23)[S](O)(=O)=O)c1
OpenEye OEToolkits 2.0.7c1cc-2c(cc1S(=O)(=O)O)Cc3c2ccc(c3)S(=O)(=O)O
Name:9H-fluorene-2,7-disulfonate
ZINC: ZINC000002507827
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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