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BioLiP

PDB CCD ID: TQC
Number of entries in BioLiP: 3
Chemical formula: C10 H12 N4 O
InChI: InChI=1S/C10H12N4O/c1-14-6-5-11-9(14)8-12-10(15-13-8)7-3-2-4-7/h5-7H,2-4H2,1H3
InChIKey: OPUWQKONOBGDBJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1ccnc1c2noc(n2)C3CCC3
ACDLabs 12.01Cn1ccnc1c1nc(on1)C1CCC1
OpenEye OEToolkits 2.0.7Cn1ccnc1c2nc(on2)C3CCC3
Name:(3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole
ZINC: ZINC000225596080
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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