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BioLiP

PDB CCD ID: PJW
Number of entries in BioLiP: 2
Chemical formula: C12 H8 I
InChI: InChI=1S/C12H9I/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
InChIKey: PEWVMQDYYUSPRM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)-c3ccccc3I2
CACTVS 3.385[I]1c2ccccc2c3ccccc13
Name:benzo[b][1]benziodole
ChEMBL: CHEMBL1616388
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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