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BioLiP

PDB CCD ID: RZZ
Number of entries in BioLiP: 1
Chemical formula: C8 H7 B O4
InChI: InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11)
InChIKey: VXDGEAYKTHEYPI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7B1(c2cc(ccc2CO1)C(=O)O)O
CACTVS 3.385OB1OCc2ccc(cc12)C(O)=O
Name:1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid;
1-methyl-3H-2,1-benzoxaborole-6-carboxylic acid;
1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxylic acid;
5-Carboxybenzoboroxole;
2,1-Benzoxaborole-6-carboxylic acid, 1,3-dihydro-1-hydroxy-
ChEMBL: CHEMBL4539935
ZINC: ZINC000169807767
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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