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BioLiP

PDB CCD ID: QFP
Number of entries in BioLiP: 2
Chemical formula: C8 H11 B O3
InChI: InChI=1S/C8H11BO3/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
InChIKey: MCBDCMMJWCRCFZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCOB(O)c1ccccc1
OpenEye OEToolkits 2.0.7B(c1ccccc1)(O)OCCO
ACDLabs 12.01c1ccccc1B(OCCO)O
Name:2-hydroxyethyl hydrogen phenylboronate
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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