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BioLiP

PDB CCD ID: PBA
Number of entries in BioLiP: 2
Chemical formula: C8 H11 B O2
InChI: InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
InChIKey: VPRUMANMDWQMNF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		OB(O)CCc1ccccc1
OpenEye OEToolkits 1.5.0B(CCc1ccccc1)(O)O
Name:PHENYLETHANE BORONIC ACID
ChEMBL: CHEMBL20461
DrugBank: DB01963
ZINC: ZINC000169745352
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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