SEQ2FUN

BioLiP

PDB CCD ID: CXI
Number of entries in BioLiP: 2
Chemical formula: C11 H15 N O
InChI: InChI=1S/C11H15NO/c12-7-6-11(8-13-9-11)10-4-2-1-3-5-10/h1-5H,6-9,12H2
InChIKey: WOFYQYBPLNLJAS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2(COC2)CCN
CACTVS 3.385NCCC1(COC1)c2ccccc2
Name:2-(3-phenyloxetan-3-yl)ethanamine
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).