SEQ2FUN

BioLiP

PDB CCD ID: A1CW7
Number of entries in BioLiP: 1
Chemical formula: C8 H9 N O2
InChI: InChI=1S/C8H9NO2/c10-8-6-3-5-11-7(6)2-1-4-9-8/h3,5H,1-2,4H2,(H,9,10)
InChIKey: FZCXAFBKFNEFCQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52
CACTVS 3.385		O=C1NCCCc2occc12
OpenEye OEToolkits 3.1.0.0c1coc2c1C(=O)NCCC2
Name:5,6,7,8-tetrahydro-4H-furo[3,2-c]azepin-4-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).