SEQ2FUN

BioLiP

PDB CCD ID: HFC
Number of entries in BioLiP: 2
Chemical formula: C9 H6 O4
InChI: InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
InChIKey: ILEDWLMCKZNDJK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c2c(cc(c1O)O)OC(=O)C=C2
CACTVS 3.385Oc1cc2OC(=O)C=Cc2cc1O
Name:6,7-bis(oxidanyl)chromen-2-one
ChEMBL: CHEMBL244743
ZINC: ZINC000000057908
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).