BioLiP

PDB

BioLiP

PDB CCD ID:

ERF

Number of entries in BioLiP:

Chemical formula:

C7 H9 B N3 O5 P S

InChI:

InChI=1S/C7H9BN3O5PS/c12-8(16-17(13,14)15)5-11-3-7(9-10-11)6-1-2-18-4-6/h1-4,12H,5H2,(H2,13,14,15)

InChIKey:

CSAHOMHDQOWLFN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OB(Cn1cc(nn1)c2cscc2)O[P](O)(O)=O
OpenEye OEToolkits 2.0.7	B(Cn1cc(nn1)c2ccsc2)(O)OP(=O)(O)O

Name:

phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)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).