SEQ2FUN

BioLiP

PDB CCD ID: JUG
Number of entries in BioLiP: 11
Chemical formula: C10 H6 O3
InChI: InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
InChIKey: KQPYUDDGWXQXHS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1cccc2C(=O)C=CC(=O)c12
ACDLabs 10.04O=C2c1c(c(O)ccc1)C(=O)C=C2
OpenEye OEToolkits 1.5.0c1cc2c(c(c1)O)C(=O)C=CC2=O
Name:5-hydroxynaphthalene-1,4-dione;
Juglone
ChEMBL: CHEMBL43612
ZINC: ZINC000000526257
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).