SEQ2FUN

BioLiP

PDB CCD ID: FUJ
Number of entries in BioLiP: 2
Chemical formula: C11 H11 O6 P
InChI: InChI=1S/C11H11O6P/c1-16-8-2-3-9-7(6-18(13,14)15)4-11(12)17-10(9)5-8/h2-5H,6H2,1H3,(H2,13,14,15)
InChIKey: HFSBVOLOSSLWNW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01COc1ccc2c(c1)OC(C=C2CP(O)(O)=O)=O
OpenEye OEToolkits 2.0.6COc1ccc2c(c1)OC(=O)C=C2CP(=O)(O)O
CACTVS 3.385COc1ccc2C(=CC(=O)Oc2c1)C[P](O)(O)=O
Name:[(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
ChEMBL: CHEMBL4460704
ZINC: ZINC000001872056
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).