BioLiP

PDB

BioLiP

PDB CCD ID:

X7F

Number of entries in BioLiP:

Chemical formula:

C10 H6 O4

InChI:

InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H

InChIKey:

RQNVIKXOOKXAJQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c2c(c1O)C(=O)C=CC2=O)O
CACTVS 3.385	Oc1ccc(O)c2C(=O)C=CC(=O)c12

Name:

5,8-bis(oxidanyl)naphthalene-1,4-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).