SEQ2FUN

BioLiP

PDB CCD ID: A1L0M
Number of entries in BioLiP: 2
Chemical formula: C17 H19 O6 P
InChI: InChI=1S/C17H19O6P/c1-21-17(18)15-7-9-16(10-8-15)24(19,20)23-12-11-22-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,20)
InChIKey: XPCSDQWUXIAMMN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COC(=O)c1ccc(cc1)P(=O)(O)OCCOCc2ccccc2
CACTVS 3.385COC(=O)c1ccc(cc1)[P](O)(=O)OCCOCc2ccccc2
Name:(4-methoxycarbonylphenyl)-(2-phenylmethoxyethoxy)phosphinic acid
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).