SEQ2FUN

BioLiP

PDB CCD ID: RUY
Number of entries in BioLiP: 3
Chemical formula: C7 H12 N4 O
InChI: InChI=1S/C7H12N4O/c8-6-7(10-12-9-6)11-4-2-1-3-5-11/h1-5H2,(H2,8,9)
InChIKey: RVSIGDHRHURXCQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1CCN(CC1)c2c(non2)N
CACTVS 3.385Nc1nonc1N2CCCCC2
ACDLabs 12.01N2(c1nonc1N)CCCCC2
Name:4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine
ChEMBL: CHEMBL1330631
ZINC: ZINC000000322796
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).