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BioLiP

PDB CCD ID: T56
Number of entries in BioLiP: 2
Chemical formula: C15 H11 N O3
InChI: InChI=1S/C15H11NO3/c17-14(16-18)9-8-10-4-3-6-12-11-5-1-2-7-13(11)19-15(10)12/h1-9,18H,(H,16,17)/b9-8+
InChIKey: KLEYDFVKAXXYIY-CMDGGOBGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ONC(=O)C=Cc1cccc2c1oc3ccccc23
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3cccc(c3o2)C=CC(=O)NO
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3cccc(c3o2)/C=C/C(=O)NO
CACTVS 3.385ONC(=O)/C=C/c1cccc2c1oc3ccccc23
Name:(E)-3-dibenzofuran-4-yl-N-oxidanyl-prop-2-enamide
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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