SEQ2FUN

BioLiP

PDB CCD ID: SZ2
Number of entries in BioLiP: 2
Chemical formula: C13 H15 N3 O
InChI: InChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2
InChIKey: XXTHMVRJMJIERU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnccc1c2nc(on2)C3CCCCC3
CACTVS 3.385C1CCC(CC1)c2onc(n2)c3ccncc3
Name:5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole;
5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole
ChEMBL: CHEMBL2069803
ZINC: ZINC000000445989
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).