SEQ2FUN

BioLiP

PDB CCD ID: VR6
Number of entries in BioLiP: 1
Chemical formula: C12 H14 N2 O2
InChI: InChI=1S/C12H14N2O2/c1-2-6-14-12(5-1)16-9-7-13-10-11-4-3-8-15-11/h1-6,8,13H,7,9-10H2
InChIKey: RMGIKRSEGHAEEZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(CNCc1ccco1)Oc1ccccn1
OpenEye OEToolkits 2.0.7c1ccnc(c1)OCCNCc2ccco2
CACTVS 3.385C(COc1ccccn1)NCc2occc2
Name:N-[(furan-2-yl)methyl]-2-[(pyridin-2-yl)oxy]ethan-1-amine
ZINC: ZINC000035287222
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).