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BioLiP

PDB CCD ID: RNC
Number of entries in BioLiP: 1
Chemical formula: C11 H12 N6 O3
InChI: InChI=1S/C11H12N6O3/c1-12-8-3-13-7(2-14-8)10(18)17-4-6(5-17)9-15-11(19)20-16-9/h2-3,6H,4-5H2,1H3,(H,12,14)(H,15,16,19)
InChIKey: YHUMVPIVKSGDRU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNc1cnc(cn1)C(=O)N2CC(C2)c3nc(on3)O
ACDLabs 12.01CNc1ncc(nc1)C(=O)N1CC(C1)c1nc(O)on1
CACTVS 3.385CNc1cnc(cn1)C(=O)N2CC(C2)c3noc(O)n3
Name:[3-(5-hydroxy-1,2,4-oxadiazol-3-yl)azetidin-1-yl][5-(methylamino)pyrazin-2-yl]methanone
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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