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BioLiP

PDB CCD ID: IOB
Number of entries in BioLiP: 2
Chemical formula: C7 H7 I O
InChI: InChI=1S/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIKey: QGCCNWSXJHGUNL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Ic1cc(ccc1)CO
CACTVS 3.341OCc1cccc(I)c1
OpenEye OEToolkits 1.5.0c1cc(cc(c1)I)CO
Name:3-IODO-BENZYL ALCOHOL
DrugBank: DB03339
ZINC: ZINC000000406922
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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