BioLiP

PDB

BioLiP

PDB CCD ID:

EQL

Number of entries in BioLiP:

Chemical formula:

C14 H7 N O6

InChI:

InChI=1S/C14H7NO6/c16-11-5-1-3-7(13(18)19)10-8(14(20)21)4-2-6(9(5)10)12(17)15-11/h1-4H,(H,18,19)(H,20,21)(H,15,16,17)

InChIKey:

NFOKRVXFAWSKMU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccc2C(=O)NC(=O)c3ccc(C(O)=O)c1c23
OpenEye OEToolkits 2.0.7	c1cc(c2c(ccc3c2c1C(=O)NC3=O)C(=O)O)C(=O)O

Name:

1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid

ZINC:

ZINC000003099348

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).