SEQ2FUN

BioLiP

PDB CCD ID: 6FG
Number of entries in BioLiP: 1
Chemical formula: C11 H15 N O2
InChI: InChI=1S/C11H15NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h5,8-9H,1-4,6-7H2
InChIKey: SGKPSOSDSZDXFD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(CCc1cocc1)N2CCCC2
OpenEye OEToolkits 2.0.4c1cocc1CCC(=O)N2CCCC2
ACDLabs 12.01O=C(N1CCCC1)CCc2ccoc2
Name:3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-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).