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BioLiP

PDB CCD ID: TJL
Number of entries in BioLiP: 3
Chemical formula: C8 H7 N3 O
InChI: InChI=1S/C8H7N3O/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,9H2
InChIKey: LKIGQRFSSGGKQW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1c2ncno2)N
CACTVS 3.385Nc1ccc(cc1)c2oncn2
ACDLabs 12.01Nc1ccc(cc1)c1ncno1
Name:4-(1,2,4-oxadiazol-5-yl)aniline
ZINC: ZINC000040454016
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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