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BioLiP

PDB CCD ID: MUX
Number of entries in BioLiP: 2
Chemical formula: C10 H8 O6 S
InChI: InChI=1S/C10H8O6S/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H,12,13,14)
InChIKey: FUYLLJCBCKRIAL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=CC(=O)Oc2cc(O[S](O)(=O)=O)ccc12
OpenEye OEToolkits 1.9.2CC1=CC(=O)Oc2c1ccc(c2)OS(=O)(=O)O
ACDLabs 12.01O=S(=O)(O)Oc2ccc1c(OC(=O)C=C1C)c2
Name:(4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen sulfate
ChEMBL: CHEMBL2074784
ZINC: ZINC000001532301
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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