BioLiP

PDB

BioLiP

PDB CCD ID:

92N

Number of entries in BioLiP:

Chemical formula:

C14 H11 B O4

InChI:

InChI=1S/C14H11BO4/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-8,17H,9H2

InChIKey:

HSAPOLFXQLNVEC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	B1(c2ccc(cc2CO1)Oc3ccc(cc3)C=O)O
CACTVS 3.385	OB1OCc2cc(Oc3ccc(C=O)cc3)ccc12

Name:

4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde

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).