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BioLiP

PDB CCD ID: YBU
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N3 O
InChI: InChI=1S/C9H7N3O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6-
InChIKey: YVGIABMOZOZHSD-POHAHGRESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7[H]/N=C\c1nnc(o1)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2nnc(o2)C=N
CACTVS 3.385N=Cc1oc(nn1)c2ccccc2
Name:(5-phenyl-1,3,4-oxadiazol-2-yl)methanimine
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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