SEQ2FUN

BioLiP

PDB CCD ID: ZUW
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N O2
InChI: InChI=1S/C11H13NO2/c1-9(13)12-6-7-14-11-5-3-2-4-10(11)8-12/h2-5H,6-8H2,1H3
InChIKey: SCYVZWVJHDZYSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CC(=O)N1Cc2ccccc2OCC1
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)N1CCOc2ccccc2C1
Name:1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)ethan-1-one
ZINC: ZINC000064541990
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).