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BioLiP Library

PDB CCD ID: 1IT
Number of entries in BioLiP: 3
Chemical formula: C12 H8 O
InChI: InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChIKey: TXCDCPKCNAJMEE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01o2c1ccccc1c3c2cccc3
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c3ccccc3o2
CACTVS 3.370o1c2ccccc2c3ccccc13
Name:DIBENZOFURAN
ChEMBL: CHEMBL277497
ZINC: ZINC000003861058
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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