BioLiP

PDB

BioLiP

PDB CCD ID:

O3B

Number of entries in BioLiP:

Chemical formula:

C6 H8 B N O4 S

InChI:

InChI=1S/C6H8BNO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4,9-10H,(H2,8,11,12)

InChIKey:

AKSXQPCIAOIJGP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	B(c1ccc(cc1)S(=O)(=O)N)(O)O
CACTVS 3.385	N[S](=O)(=O)c1ccc(cc1)B(O)O

Name:

(4-sulfamoylphenyl)boronic acid

ZINC:

ZINC000169745616

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).