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BioLiP

PDB CCD ID: IOQ
Number of entries in BioLiP: 1
Chemical formula: C20 H10 Cl2 O5
InChI: InChI=1S/C20H10Cl2O5/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H
InChIKey: VFNKZQNIXUFLBC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=O)OC23c4cc(c(cc4Oc5c3cc(c(c5)O)Cl)O)Cl
CACTVS 3.385Oc1cc2Oc3cc(O)c(Cl)cc3[C@@]4(OC(=O)c5ccccc45)c2cc1Cl
CACTVS 3.385Oc1cc2Oc3cc(O)c(Cl)cc3[C]4(OC(=O)c5ccccc45)c2cc1Cl
Name:2',7'-bis(chloranyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one;
2',7'-Dichlorofluorescein
ChEMBL: CHEMBL1908059
ZINC: ZINC000004261850
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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