SEQ2FUN

BioLiP

PDB CCD ID: ANF
Number of entries in BioLiP: 2
Chemical formula: C14 H10 O
InChI: InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15H
InChIKey: AUKRYONWZHRJRE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1c2ccccc2cc3ccccc13
ACDLabs 10.04Oc2c3c(cc1c2cccc1)cccc3
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cc3ccccc3c2O
Name:ANTHRONE
ZINC: ZINC000001671624
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).