BioLiP

PDB

BioLiP

PDB CCD ID:

BFD

Number of entries in BioLiP:

Chemical formula:

C4 H6 Be F3 N O4

InChI:

InChI=1S/C4H7NO4.Be.3FH/c5-2(4(8)9)1-3(6)7;;;;/h2H,1,5H2,(H,6,7)(H,8,9);;3*1H/q;+2;;;/p-4/t2-;;;;/m0..../s1

InChIKey:

AHUXVQYBCVIJSZ-AIDJSRAFSA-J

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](CC(=O)O[Be--](F)(F)F)C(O)=O
OpenEye OEToolkits 1.5.0	[Be-2](OC(=O)CC(C(=O)O)N)(F)(F)F
OpenEye OEToolkits 1.5.0	[Be-2](OC(=O)C[C@@H](C(=O)O)N)(F)(F)F
CACTVS 3.341	N[C@@H](CC(=O)O[Be--](F)(F)F)C(O)=O
ACDLabs 10.04	O=C(O[Be-2](F)(F)F)CC(N)C(=O)O

Name:

ASPARTATE BERYLLIUM TRIFLUORIDE

DrugBank:

DB04156

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).