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BioLiP Library

PDB CCD ID: BFD
Number of entries in BioLiP: 0
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:
SoftwareSMILES
CACTVS 3.341N[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 3.341N[C@@H](CC(=O)O[Be--](F)(F)F)C(O)=O
ACDLabs 10.04O=C(O[Be-2](F)(F)F)CC(N)C(=O)O
Name:ASPARTATE BERYLLIUM TRIFLUORIDE
DrugBank: DB04156
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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