SEQ2FUN

BioLiP

PDB CCD ID: 9TA
Number of entries in BioLiP: 0
Chemical formula: C14 H8 O2
InChI: InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKey: RZVHIXYEVGDQDX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2c1c(cccc1)C(=O)c3c2cccc3
OpenEye OEToolkits 1.7.0c1ccc2c(c1)C(=O)c3ccccc3C2=O
CACTVS 3.370O=C1c2ccccc2C(=O)c3ccccc13
Name:1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-ETHYLAMINO]-ANTHRAQUINONE
ChEMBL: CHEMBL55659
ZINC: ZINC000003847491
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).