SEQ2FUN

BioLiP

PDB CCD ID: A1LY4
Number of entries in BioLiP: 2
Chemical formula: C9 H15 N3
InChI: InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
InChIKey: MCNGUYXRBCIGOV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c([nH]cn1)CC2CCNCC2
CACTVS 3.385C1CC(CCN1)Cc2[nH]cnc2
Name:4-(1H-imidazol-5-ylmethyl)piperidine
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).