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BioLiP

PDB CCD ID: 4CB
Number of entries in BioLiP: 2
Chemical formula: C7 H7 B O4
InChI: InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
InChIKey: SIAVMDKGVRXFAX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0B(c1ccc(cc1)C(=O)O)(O)O
CACTVS 3.341OB(O)c1ccc(cc1)C(O)=O
ACDLabs 10.04O=C(O)c1ccc(B(O)O)cc1
Name:4-CARBOXYPHENYLBORONIC ACID
ChEMBL: CHEMBL82324
DrugBank: DB03140
ZINC: ZINC000169743194
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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