SEQ2FUN

BioLiP

PDB CCD ID: 8KB
Number of entries in BioLiP: 3
Chemical formula: C5 H11 N O2
InChI: InChI=1S/C5H11NO2/c7-5-3-6-1-2-8-4-5/h5-7H,1-4H2/t5-/m1/s1
InChIKey: AJQUDIYIICBQDR-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1COCC(CN1)O
CACTVS 3.385O[CH]1CNCCOC1
OpenEye OEToolkits 2.0.6C1COC[C@@H](CN1)O
CACTVS 3.385O[C@@H]1CNCCOC1
Name:(6~{R})-1,4-oxazepan-6-ol
ZINC: ZINC000096111345
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).