SEQ2FUN

BioLiP

PDB CCD ID: A1CFS
Number of entries in BioLiP: 2
Chemical formula: C6 H9 N3
InChI: InChI=1S/C6H9N3/c1-2-9-6(8-1)5-3-7-4-5/h1-2,5,7H,3-4H2,(H,8,9)
InChIKey: FUUJTHNKOCYTDT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cnc([nH]1)C2CNC2
ACDLabs 14.52n1cc[NH]c1C1CNC1
CACTVS 3.385C1NCC1c2[nH]ccn2
Name:2-(azetidin-3-yl)-1H-imidazole
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).