SEQ2FUN

BioLiP

PDB CCD ID: YZ9
Number of entries in BioLiP: 6
Chemical formula: C12 H10 O5
InChI: InChI=1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3
InChIKey: IETDBZQIWIJQJG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCOC(=O)C1=Cc2ccc(cc2OC1=O)O
CACTVS 3.341CCOC(=O)C1=Cc2ccc(O)cc2OC1=O
ACDLabs 10.04O=C(OCC)C1=Cc2c(OC1=O)cc(O)cc2
Name:7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER
ChEMBL: CHEMBL155103
DrugBank: DB02728
ZINC: ZINC000000057354
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).