BioLiP

PDB

BioLiP

PDB CCD ID:

QHE

Number of entries in BioLiP:

Chemical formula:

C12 H11 N3 S

InChI:

InChI=1S/C12H11N3S/c1-2-11-13-14-12-15(11)10(8-16-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3

InChIKey:

FMUKRZNURPLEIQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCc1nnc2scc(n12)c3ccccc3
OpenEye OEToolkits 2.0.7	CCc1nnc2n1c(cs2)c3ccccc3

Name:

3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

ChEMBL:

CHEMBL5218482

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).