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BioLiP

PDB CCD ID: APB
Number of entries in BioLiP: 7
Chemical formula: C6 H8 B N O2
InChI: InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2
InChIKey: JMZFEHDNIAQMNB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1cccc(c1)B(O)O
OpenEye OEToolkits 1.5.0B(c1cccc(c1)N)(O)O
ACDLabs 10.04OB(O)c1cccc(N)c1
Name:M-AMINOPHENYLBORONIC ACID
ChEMBL: CHEMBL20852
DrugBank: DB01896
ZINC: ZINC000169743006
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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