SEQ2FUN

BioLiP

PDB CCD ID: NJE
Number of entries in BioLiP: 1
Chemical formula: C13 H19 N3 O
InChI: InChI=1S/C13H19N3O/c1-11-5-6-14-9-12(11)15-13(17)10-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,15,17)
InChIKey: KNBSSRRKRQQGOO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cc1ccncc1NC(=O)CN2CCCCC2
ACDLabs 12.01O=C(CN1CCCCC1)Nc1cnccc1C
Name:N-(4-methylpyridin-3-yl)-2-(piperidin-1-yl)acetamide
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).