SEQ2FUN

BioLiP

PDB CCD ID: YMR
Number of entries in BioLiP: 4
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:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC1=CC(=O)C=CC1=O
Name:2-methylcyclohexa-2,5-diene-1,4-dione
ChEMBL: CHEMBL358225
ZINC: ZINC000000080829
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).