BioLiP

PDB

BioLiP

PDB CCD ID:

A1IST

Number of entries in BioLiP:

Chemical formula:

C12 H10 N4

InChI:

InChI=1S/C12H10N4/c1-8-14-12(16-15-8)10-6-7-13-11-5-3-2-4-9(10)11/h2-7H,1H3,(H,14,15,16)

InChIKey:

VBJAMIUIUPPGLI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1[nH]c(nn1)c2ccnc3c2cccc3
CACTVS 3.385	Cc1[nH]c(nn1)c2ccnc3ccccc23

Name:

4-(5-methyl-4H-1,2,4-triazol-3-yl)quinoline

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).