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BioLiP

PDB CCD ID: NXM
Number of entries in BioLiP: 0
Chemical formula: C11 H17 N3 O
InChI: InChI=1S/C11H17N3O/c1-2-9(1)11-13-10(15-14-11)7-8-3-5-12-6-4-8/h8-9,12H,1-7H2
InChIKey: UMIHXIWIKFHJRW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c(CC1CCNCC1)onc2C3CC3
OpenEye OEToolkits 2.0.6C1CC1c2nc(on2)CC3CCNCC3
CACTVS 3.385C1CC(CCN1)Cc2onc(n2)C3CC3
Name:4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
ZINC: ZINC000045893383
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).
  • 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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