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BioLiP

PDB CCD ID: PHJ
Number of entries in BioLiP: 2
Chemical formula: C7 H8 N2 O2
InChI: InChI=1S/C7H8N2O2/c8-11-7(10)9-6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)
InChIKey: YQHOHPOCZUAUKP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)NC(=O)ON
ACDLabs 10.04O=C(ON)Nc1ccccc1
CACTVS 3.341NOC(=O)Nc1ccccc1
Name:N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE;
N-[(AMINOOXY)CARBONYL]ANILINE
DrugBank: DB04157
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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