SEQ2FUN

BioLiP

PDB CCD ID: A1CWT
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N O2
InChI: InChI=1S/C10H11NO2/c12-10-8-13-7-6-11(10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey: SIWXCJHUZAEIAE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)N2CCOCC2=O
CACTVS 3.385O=C1COCCN1c2ccccc2
ACDLabs 14.52O=C1COCCN1c1ccccc1
Name:4-phenylmorpholin-3-one
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).