SEQ2FUN

BioLiP

PDB CCD ID: F08
Number of entries in BioLiP: 2
Chemical formula: C17 H12 O4
InChI: InChI=1S/C17H12O4/c1-20-17(19)12-8-6-11(7-9-12)16-10-14(18)13-4-2-3-5-15(13)21-16/h2-10H,1H3
InChIKey: BDADRHKVFGYIRW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(OC)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
CACTVS 3.370
OpenEye OEToolkits 1.7.6		COC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2
Name:methyl 4-(4-oxo-4H-chromen-2-yl)benzoate
ChEMBL: CHEMBL2431800
ZINC: ZINC000044602434
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).