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BioLiP

PDB CCD ID: 18N
Number of entries in BioLiP: 1
Chemical formula: C12 H7 N O2
InChI: InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)
InChIKey: XJHABGPPCLHLLV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O=C1NC(=O)c2cccc3cccc1c23
OpenEye OEToolkits 1.5.0c1cc2cccc3c2c(c1)C(=O)NC3=O
ACDLabs 10.04O=C2c1c3c(ccc1)cccc3C(=O)N2
Name:1H-benzo[de]isoquinoline-1,3(2H)-dione;
1,8-NAPHTHALIMIDE
ChEMBL: CHEMBL339586
ZINC: ZINC000000024215
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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