SEQ2FUN

BioLiP

PDB CCD ID: EPL
Number of entries in BioLiP: 3
Chemical formula: C11 H17 O5 P
InChI: InChI=1S/C11H17O5P/c1-4-14-17(12,15-5-2)16-11-8-6-10(13-3)7-9-11/h6-9H,4-5H2,1-3H3
InChIKey: GDWXALVJBAAUJN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCO[P](=O)(OCC)Oc1ccc(OC)cc1
ACDLabs 10.04O=P(Oc1ccc(OC)cc1)(OCC)OCC
OpenEye OEToolkits 1.5.0CCOP(=O)(OCC)Oc1ccc(cc1)OC
Name:DIETHYL 4-METHOXYPHENYL PHOSPHATE
ChEMBL: CHEMBL1232549
DrugBank: DB07721
ZINC: ZINC000016052490
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).