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BioLiP

PDB CCD ID: 7M1
Number of entries in BioLiP: 2
Chemical formula: C24 H18 O5 S
InChI: InChI=1S/C24H18O5S/c25-19-10-6-17(7-11-19)23-15-14-22(16-24(23)18-8-12-20(26)13-9-18)30(27,28)29-21-4-2-1-3-5-21/h1-16,25-26H
InChIKey: OBWTWQODGLXVRA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)OS(=O)(=O)c2ccc(c(c2)c3ccc(cc3)O)c4ccc(cc4)O
ACDLabs 12.01Oc1ccc(cc1)c3cc(S(=O)(=O)Oc2ccccc2)ccc3c4ccc(cc4)O
CACTVS 3.385Oc1ccc(cc1)c2ccc(cc2c3ccc(O)cc3)[S](=O)(=O)Oc4ccccc4
Name:phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
ZINC: ZINC000584905417
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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