BioLiP

PDB

BioLiP

PDB CCD ID:

HQZ

Number of entries in BioLiP:

Chemical formula:

C3 H11 B N O5 S

InChI:

InChI=1S/C3H11BNO5S/c1-3(4(6,7)8)5-11(2,9)10/h3,5-8H,1-2H3/q-1/t3-/m1/s1

InChIKey:

ZTYRBLZCLIYDCR-GSVOUGTGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	[B-]([C@@H](C)NS(=O)(=O)C)(O)(O)O
OpenEye OEToolkits 1.9.2	[B-](C(C)NS(=O)(=O)C)(O)(O)O
CACTVS 3.385	C[CH](N[S](C)(=O)=O)[B-](O)(O)O
CACTVS 3.385	C[C@@H](N[S](C)(=O)=O)[B-](O)(O)O
ACDLabs 12.01	O=S(=O)(NC([B-](O)(O)O)C)C

Name:

trihydroxy{(1S)-1-[(methylsulfonyl)amino]ethyl}borate(1-)

ZINC:

ZINC000205191295

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).