SEQ2FUN

BioLiP

PDB CCD ID: DP8
Number of entries in BioLiP: 1
Chemical formula: C16 H19 N O2
InChI: InChI=1S/C16H19NO2/c1-17(2)12-13-18-14-8-10-16(11-9-14)19-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKey: INAQPAUETXGHJF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O(c2ccc(Oc1ccccc1)cc2)CCN(C)C
OpenEye OEToolkits 1.7.6CN(C)CCOc1ccc(cc1)Oc2ccccc2
CACTVS 3.385CN(C)CCOc1ccc(Oc2ccccc2)cc1
Name:N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine
ChEMBL: CHEMBL3921982
ZINC: ZINC000215992969
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).