SEQ2FUN

BioLiP

PDB CCD ID: A1D7U
Number of entries in BioLiP: 3
Chemical formula: C17 H19 N O4
InChI: InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)
InChIKey: HJUFTIJOISQSKQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2
CACTVS 3.385CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1
Name:ethyl ~{N}-[2-(4-phenoxyphenoxy)ethyl]carbamate;
Fenoxycarb
ChEMBL: CHEMBL15780
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).