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BioLiP

PDB CCD ID: LFG
Number of entries in BioLiP: 2
Chemical formula: C12 H19 N3 O
InChI: InChI=1S/C12H19N3O/c1-2-4-6-10(5-3-1)13-12-15-14-11(16-12)9-7-8-9/h9-10H,1-8H2,(H,13,15)
InChIKey: JVKMRHJNTQEBIV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1CCCC(CC1)Nc2nnc(o2)C3CC3
CACTVS 3.385C1CCCC(CC1)Nc2oc(nn2)C3CC3
ACDLabs 12.01n2nc(NC1CCCCCC1)oc2C3CC3
Name:N-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine
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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