BioLiP

PDB

BioLiP

PDB CCD ID:

01L

Number of entries in BioLiP:

Chemical formula:

C5 H14 B N O3

InChI:

InChI=1S/C5H14BNO3/c1-10-4-2-3-5(7)6(8)9/h5,8-9H,2-4,7H2,1H3/t5-/m0/s1

InChIKey:

HSZIJAHUOVGOAM-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	B(C(CCCOC)N)(O)O
CACTVS 3.370	COCCC[C@H](N)B(O)O
ACDLabs 12.01	OB(O)C(N)CCCOC
OpenEye OEToolkits 1.7.0	B([C@H](CCCOC)N)(O)O
CACTVS 3.370	COCCC[CH](N)B(O)O

Name:

[(1R)-1-amino-4-methoxybutyl]boronic acid

ZINC:

ZINC000217677357

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).