SEQ2FUN

BioLiP

PDB CCD ID: K3C
Number of entries in BioLiP: 2
Chemical formula: C12 H8 O2
InChI: InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H
InChIKey: RLQZIECDMISZHS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2=CC(=O)C=CC2=O
CACTVS 3.385O=C1C=CC(=O)C(=C1)c2ccccc2
Name:2-phenylcyclohexa-2,5-diene-1,4-dione
ChEMBL: CHEMBL274117
ZINC: ZINC000000155902
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).