SEQ2FUN

BioLiP

PDB CCD ID: A1BFO
Number of entries in BioLiP: 1
Chemical formula: C12 H19 N3
InChI: InChI=1S/C12H19N3/c1-2-14-11-5-9-15(10-6-11)12-3-7-13-8-4-12/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3
InChIKey: SZIYLERKSNSGON-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 3.1.0.0		CCNC1CCN(CC1)c2ccncc2
ACDLabs 14.52CCNC1CCN(CC1)c1ccncc1
Name:N-ethyl-1-(pyridin-4-yl)piperidin-4-amine
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).