BioLiP

PDB

BioLiP

PDB CCD ID:

A1II0

Number of entries in BioLiP:

Chemical formula:

C7 H5 B F O2

InChI:

InChI=1S/C7H5BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-4,10H

InChIKey:

KANFGNKXXLVVNP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	B1(=C2C=CC(=CC2=CO1)F)O
CACTVS 3.385	O[b]1occ2cc(F)ccc12

Name:

3-fluoranyl-7-oxidanyl-8-oxa-7$l^{4}-borabicyclo[4.3.0]nona-1(9),2,4,6-tetraene

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).