SEQ2FUN

BioLiP

PDB CCD ID: VVY
Number of entries in BioLiP: 1
Chemical formula: C12 H15 N O2
InChI: InChI=1S/C12H15NO2/c14-12(13-8-4-5-9-13)10-15-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKey: FYNNGWZCHCSIQA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)OCC(=O)N2CCCC2
CACTVS 3.385O=C(COc1ccccc1)N2CCCC2
ACDLabs 12.01N1(CCCC1)C(=O)COc2ccccc2
Name:2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
ChEMBL: CHEMBL1351238
ZINC: ZINC000000493235
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).