SEQ2FUN

BioLiP

PDB CCD ID: A1AMY
Number of entries in BioLiP: 1
Chemical formula: C12 H16 F N O
InChI: InChI=1S/C12H16FNO/c13-12-4-2-1-3-10(12)9-14-11-5-7-15-8-6-11/h1-4,11,14H,5-9H2
InChIKey: VJDVDWXYFZNXLH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccccc1CNC2CCOCC2
ACDLabs 12.01Fc1ccccc1CNC1CCOCC1
OpenEye OEToolkits 2.0.7c1ccc(c(c1)CNC2CCOCC2)F
Name:N-[(2-fluorophenyl)methyl]oxan-4-amine
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).