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BioLiP

PDB CCD ID: 1VK
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N3 O2
InChI: InChI=1S/C9H7N3O2/c10-9-7(11-14-12-9)8(13)6-4-2-1-3-5-6/h1-5H,(H2,10,12)
InChIKey: FSUWRFXTSWSYPV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c1ccccc1)c2nonc2N
CACTVS 3.385Nc1nonc1C(=O)c2ccccc2
OpenEye OEToolkits 1.9.2c1ccc(cc1)C(=O)c2c(non2)N
Name:(4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone
ZINC: ZINC000001304678
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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