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BioLiP

PDB CCD ID: U2T
Number of entries in BioLiP: 1
Chemical formula: C13 H16 N4 O2
InChI: InChI=1S/C13H16N4O2/c1-13(2,3)9-6-4-8(5-7-9)10-15-12(19-17-10)11(18)16-14/h4-7H,14H2,1-3H3,(H,16,18)
InChIKey: VCNKWJYUMPASMU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)(C)c1ccc(cc1)c2nc(on2)C(=O)NN
CACTVS 3.385CC(C)(C)c1ccc(cc1)c2noc(n2)C(=O)NN
Name:3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide
ChEMBL: CHEMBL1306063
ZINC: ZINC000000115314
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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