BioLiP

PDB

BioLiP

PDB CCD ID:

25N

Number of entries in BioLiP:

Chemical formula:

C14 H23 B O2

InChI:

InChI=1S/C14H23BO2/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)15(16)17/h7-9,16-17H,1-6H3

InChIKey:

RPCBIEHUQSGPNA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CC(C)(C)c1cc(cc(c1)C(C)(C)C)B(O)O
ACDLabs 12.01	OB(O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
OpenEye OEToolkits 1.7.6	B(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(O)O

Name:

(3,5-di-tert-butylphenyl)boronic acid

ZINC:

ZINC000169746404

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).