BioLiP

PDB

BioLiP

PDB CCD ID:

DYB

Number of entries in BioLiP:

Chemical formula:

C6 H15 B N O3

InChI:

InChI=1S/C6H14BNO3/c8-3-1-2-4-9-7-10-5-6-11-7/h1-6,8H2/p+1

InChIKey:

KTZDASPSWBAPAR-UHFFFAOYSA-O

SMILES:

Software	SMILES
ACDLabs 10.04	O(B1OCCO1)CCCC[NH3+]
OpenEye OEToolkits 1.5.0	B1(OCCO1)OCCCC[NH3+]
CACTVS 3.341	[NH3+]CCCCOB1OCCO1

Name:

4-(1,3,2-DIOXABOROLAN-2-YLOXY)BUTAN-1-AMINIUM

DrugBank:

DB02308

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).