BioLiP

PDB

BioLiP

PDB CCD ID:

7N8

Number of entries in BioLiP:

Chemical formula:

C9 H12 B N O4

InChI:

InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1

InChIKey:

NFIVJOSXJDORSP-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	B(c1ccc(cc1)C[C@@H](C(=O)O)N)(O)O
CACTVS 3.385	N[CH](Cc1ccc(cc1)B(O)O)C(O)=O
OpenEye OEToolkits 2.0.6	B(c1ccc(cc1)CC(C(=O)O)N)(O)O
CACTVS 3.385	N[C@@H](Cc1ccc(cc1)B(O)O)C(O)=O

Name:

4-Borono-L-phenylalanine

ChEMBL:

CHEMBL125582

ZINC:

ZINC000169743223

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).