SEQ2FUN

BioLiP

PDB CCD ID: ANQ
Number of entries in BioLiP: 2
Chemical formula: C12 H6 O2
InChI: InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
InChIKey: AFPRJLBZLPBTPZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O=C1C(=O)c2cccc3cccc1c23
OpenEye OEToolkits 1.5.0c1cc2cccc3c2c(c1)C(=O)C3=O
ACDLabs 10.04O=C3c2cccc1cccc(c12)C3=O
Name:ACENAPHTHENEQUINONE
ChEMBL: CHEMBL395653
ZINC: ZINC000001529526
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).