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BioLiP

PDB CCD ID: VW8
Number of entries in BioLiP: 1
Chemical formula: C8 H10 N2 O2
InChI: InChI=1S/C8H10N2O2/c9-8(10-11)6-12-7-4-2-1-3-5-7/h1-5,11H,6H2,(H2,9,10)
InChIKey: BIIYCNCZOGOUJP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7[H]/N=C(\COc1ccccc1)/NO
ACDLabs 12.01N=C(COc1ccccc1)NO
CACTVS 3.385ONC(=N)COc1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)OCC(=N)NO
Name:(1E)-N-hydroxy(phenoxy)ethanimidamide
ZINC: ZINC000004218352
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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