BioLiP

PDB

BioLiP

PDB CCD ID:

UZW

Number of entries in BioLiP:

Chemical formula:

C13 H11 N5 O2 S

InChI:

InChI=1S/C13H11N5O2S/c19-13(15-20)10-5-3-9(4-6-10)8-18-12(14-16-17-18)11-2-1-7-21-11/h1-7,20H,8H2,(H,15,19)

InChIKey:

UFUGFWWXDWPEQE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO
CACTVS 3.385	ONC(=O)c1ccc(Cn2nnnc2c3sccc3)cc1

Name:

~{N}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide

ChEMBL:

CHEMBL4448410

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).