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BioLiP

PDB CCD ID: L6Y
Number of entries in BioLiP: 2
Chemical formula: C19 H11 N O4
InChI: InChI=1S/C19H11NO4/c21-17(11-5-2-1-3-6-11)13-9-10-15-16-12(13)7-4-8-14(16)18(22)20(24)19(15)23/h1-10,24H
InChIKey: AFGMHSZWGJYWFH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ON1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)c4ccccc4
OpenEye OEToolkits 1.9.2c1ccc(cc1)C(=O)c2ccc3c4c2cccc4C(=O)N(C3=O)O
Name:2-oxidanyl-6-(phenylcarbonyl)benzo[de]isoquinoline-1,3-dione
ZINC: ZINC000005234386
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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