SEQ2FUN

BioLiP

PDB CCD ID: CXO
Number of entries in BioLiP: 2
Chemical formula: C6 H8 O2
InChI: InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2
InChIKey: OILAIQUEIWYQPH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CCC(=O)C(=O)C1
CACTVS 3.341O=C1CCCCC1=O
ACDLabs 10.04O=C1C(=O)CCCC1
Name:CYCLOHEXANE-1,2-DIONE
ChEMBL: CHEMBL189727
ZINC: ZINC000100003928
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).