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BioLiP

PDB CCD ID: RXW
Number of entries in BioLiP: 1
Chemical formula: C8 H9 B N2 O2
InChI: InChI=1S/C8H9BN2O2/c1-5-2-6-4-10-11-8(6)3-7(5)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChIKey: FVSYCXICBAFOGW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc2cn[nH]c2cc1B(O)O
OpenEye OEToolkits 2.0.7B(c1cc2c(cc1C)cn[nH]2)(O)O
Name:(5-methyl-1H-indazol-6-yl)boronic acid;
5-Methyl-1H-indazole-6-boronic acid;
5-METHYL-1H-INDAZOL-6-YL-6-BORONIC ACID;
Boronic acid, B-(5-methyl-1H-indazol-6-yl)-
ChEMBL: CHEMBL5081717
ZINC: ZINC000169945583
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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