SEQ2FUN

BioLiP

PDB CCD ID: GF3
Number of entries in BioLiP: 2
Chemical formula: C12 H15 N O
InChI: InChI=1S/C12H15NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,13H,5-9H2
InChIKey: BYOIMOJOKVUNTP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)COC23CCNCC3
CACTVS 3.385C1CC2(CCN1)OCc3ccccc23
Name:spiro[1H-2-benzofuran-3,4'-piperidine]
ChEMBL: CHEMBL64369
ZINC: ZINC000002391730
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).