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BioLiP

PDB CCD ID: JF6
Number of entries in BioLiP: 1
Chemical formula: C8 H7 N3 O
InChI: InChI=1S/C8H7N3O/c9-8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
InChIKey: APGIIVSHRRCAPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1nonc1c2ccccc2
ACDLabs 12.01n1onc(N)c1c2ccccc2
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2c(non2)N
Name:4-PHENYL-1,2,5-OXADIAZOL-3-AMINE
ChEMBL: CHEMBL487818
ZINC: ZINC000000075651
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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