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BioLiP

PDB CCD ID: WKA
Number of entries in BioLiP: 3
Chemical formula: C8 H7 N3 O2
InChI: InChI=1S/C8H7N3O2/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4H,1H3,(H,9,12)
InChIKey: JJHRQXVBTBBRGJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1cccc2nonc12
OpenEye OEToolkits 2.0.7CC(=O)Nc1cccc2c1non2
ACDLabs 12.01n2c1c(NC(C)=O)cccc1no2
Name:N-(2,1,3-benzoxadiazol-4-yl)acetamide
ZINC: ZINC000000291833
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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