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BioLiP

PDB CCD ID: UJS
Number of entries in BioLiP: 2
Chemical formula: C24 H16 N2 O3
InChI: InChI=1S/C24H16N2O3/c27-22-10-9-16(23(28)25-12-17-5-1-2-6-18(17)13-25)11-21(22)24(29)26-14-19-7-3-4-8-20(19)15-26/h1-15,27H
InChIKey: FQSLQNAXZJFWRX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c3(c(ccc(C(=O)n1cc2c(c1)cccc2)c3)O)C(=O)n4cc5c(c4)cccc5
CACTVS 3.385Oc1ccc(cc1C(=O)n2cc3ccccc3c2)C(=O)n4cc5ccccc5c4
OpenEye OEToolkits 2.0.7c1ccc2cn(cc2c1)C(=O)c3ccc(c(c3)C(=O)n4cc5ccccc5c4)O
Name:(4-hydroxy-1,3-phenylene)bis[(2H-isoindol-2-yl)methanone]
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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