BioLiP

PDB

BioLiP

PDB CCD ID:

5SN

Number of entries in BioLiP:

Chemical formula:

C12 H11 N3

InChI:

InChI=1S/C12H11N3/c1-8-7-12-14-13-9(2)15(12)11-6-4-3-5-10(8)11/h3-7H,1-2H3

InChIKey:

UZKVTJNMCRNIDU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	Cc1cc2nnc(n2c3c1cccc3)C
CACTVS 3.385	Cc1cc2nnc(C)n2c3ccccc13

Name:

1,5-dimethyl-[1,2,4]triazolo[4,3-a]quinoline

ZINC:

ZINC000000971285

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).