BioLiP

PDB

BioLiP

PDB CCD ID:

KIX

Number of entries in BioLiP:

Chemical formula:

C8 H10 B O3

InChI:

InChI=1S/C8H10BO3/c10-9(11)8-4-2-1-3-7(8)5-6-12-9/h1-4,10-11H,5-6H2

InChIKey:

MFYYVEPZJUPHCD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	B1(c2ccccc2CCO1)(O)O
CACTVS 3.385	O[B]1(O)OCCc2ccccc12

Name:

1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine;
3,4-dihydro-1H-1l4-benzo[c][1,2]oxaborinine-1,1-diol

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).