BioLiP

PDB

BioLiP

PDB CCD ID:

UFI

Number of entries in BioLiP:

Chemical formula:

C13 H9 N O4

InChI:

InChI=1S/C13H9NO4/c1-18-10-6-5-9-11-7(10)3-2-4-8(11)12(15)14(17)13(9)16/h2-6,17H,1H3

InChIKey:

JNZJPCRGQNFNFC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc2c3c1cccc3C(=O)N(C2=O)O
CACTVS 3.385	COc1ccc2C(=O)N(O)C(=O)c3cccc1c23

Name:

6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).