SEQ2FUN

BioLiP

PDB CCD ID: A1AJS
Number of entries in BioLiP: 2
Chemical formula: C10 H12 N2 O
InChI: InChI=1S/C10H12N2O/c13-9-4-7-12(8-5-9)10-3-1-2-6-11-10/h1-3,6H,4-5,7-8H2
InChIKey: CSNJUQMJDHNKHI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccnc(c1)N2CCC(=O)CC2
CACTVS 3.385O=C1CCN(CC1)c2ccccn2
ACDLabs 12.01O=C1CCN(CC1)c1ncccc1
Name:1-(pyridin-2-yl)piperidin-4-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).