BioLiP

PDB

BioLiP

PDB CCD ID:

KSW

Number of entries in BioLiP:

Chemical formula:

C6 H6 O

InChI:

InChI=1S/C6H6O/c1-5-3-2-4-6(5)7/h2-4H,1H3

InChIKey:

LYYZLRGLZHSYLN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1=CC=CC1=O

Name:

2-methylcyclopenta-2,4-dien-1-one

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).