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BioLiP

PDB CCD ID: 4GS
Number of entries in BioLiP: 1
Chemical formula: C8 H13 N5 O2
InChI: InChI=1S/C8H13N5O2/c9-7-6(12-15-13-7)8(14)11-5-1-3-10-4-2-5/h5,10H,1-4H2,(H2,9,13)(H,11,14)
InChIKey: LGMVLTCRFMCVHB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(c(non1)N)C(=O)NC2CCNCC2
CACTVS 3.385Nc1nonc1C(=O)NC2CCNCC2
OpenEye OEToolkits 1.9.2C1CNCCC1NC(=O)c2c(non2)N
Name:4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide
ZINC: ZINC000584904938
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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