BioLiP

PDB

BioLiP

PDB CCD ID:

91X

Number of entries in BioLiP:

Chemical formula:

C14 H8 N4 O3 S

InChI:

InChI=1S/C14H8N4O3S/c19-13-9-3-1-2-4-11(9)22(20,21)12-7-8(5-6-10(12)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18)

InChIKey:

VIDCTSLIEZMQRF-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c12cc(ccc1C(c3c(S2(=O)=O)cccc3)=O)c4nnnn4
CACTVS 3.385	O=C1c2ccccc2[S](=O)(=O)c3cc(ccc13)c4[nH]nnn4
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)C(=O)c3ccc(cc3S2(=O)=O)c4[nH]nnn4

Name:

3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione

ChEMBL:

CHEMBL22336

ZINC:

ZINC000000155293

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).