BioLiP

PDB

BioLiP

PDB CCD ID:

QQZ

Number of entries in BioLiP:

Chemical formula:

C7 H10 B N6 O7 P S

InChI:

InChI=1S/C7H10BN6O7PS/c15-8(21-22(16,17)18)4-10-23(19,20)5-1-2-6(9-3-5)7-11-13-14-12-7/h1-3,10,15H,4H2,(H2,16,17,18)(H,11,12,13,14)

InChIKey:

NHSMXLLDAOLTTP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OB(CN[S](=O)(=O)c1ccc(nc1)c2[nH]nnn2)O[P](O)(O)=O
OpenEye OEToolkits 2.0.6	B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)OP(=O)(O)O

Name:

phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid

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).