SEQ2FUN

BioLiP

PDB CCD ID: UAS
Number of entries in BioLiP: 1
Chemical formula: C15 H10 O2
InChI: InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
InChIKey: NFBAXHOPROOJAW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2C(=O)c3ccccc3C2=O
CACTVS 3.385O=C1C(c2ccccc2)C(=O)c3ccccc13
ACDLabs 12.01c1c2C(C(C(=O)c2ccc1)c3ccccc3)=O
Name:Phenindione;
2-phenyl-1H-indene-1,3(2H)-dione
ChEMBL: CHEMBL711
DrugBank: DB00498
ZINC: ZINC000100004862
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).