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BioLiP

PDB CCD ID: 98T
Number of entries in BioLiP: 12
Chemical formula: C8 H7 I O3
InChI: InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
InChIKey: PXNOLLHARLSLHY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)c1ccc(O)c(I)c1
OpenEye OEToolkits 2.0.6COC(=O)c1ccc(c(c1)I)O
Name:methyl 3-iodanyl-4-oxidanyl-benzoate
ZINC: ZINC000002548331
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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