BioLiP

PDB

BioLiP

PDB CCD ID:

A1I76

Number of entries in BioLiP:

Chemical formula:

C11 H9 N3 S

InChI:

InChI=1S/C11H9N3S/c1-8-12-13-11-14(8)10(7-15-11)9-5-3-2-4-6-9/h2-7H,1H3

InChIKey:

JQMRMGDOZXEHEL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1nnc2n1c(cs2)c3ccccc3
CACTVS 3.385	Cc1nnc2scc(n12)c3ccccc3

Name:

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

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).