BioLiP

PDB

BioLiP

PDB CCD ID:

RXW

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	Cc1cc2cn[nH]c2cc1B(O)O
OpenEye OEToolkits 2.0.7	B(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, Lydia 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).