BioLiP

PDB

BioLiP

PDB CCD ID:

JW1

Number of entries in BioLiP:

Chemical formula:

C11 H16 B N O4

InChI:

InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)

InChIKey:

CWLNHPXWZRALFS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)(C)OC(=O)Nc1cccc(c1)B(O)O
ACDLabs 12.01	c1ccc(B(O)O)cc1NC(=O)OC(C)(C)C
OpenEye OEToolkits 2.0.6	B(c1cccc(c1)NC(=O)OC(C)(C)C)(O)O

Name:

{3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid

ZINC:

ZINC000169744157

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).