BioLiP

PDB

BioLiP

PDB CCD ID:

YMR

Number of entries in BioLiP:

Chemical formula:

C7 H6 O2

InChI:

InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

InChIKey:

VTWDKFNVVLAELH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1=CC(=O)C=CC1=O

Name:

2-methylcyclohexa-2,5-diene-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).