BioLiP

PDB

BioLiP

PDB CCD ID:

JZ8

Number of entries in BioLiP:

Chemical formula:

C16 H15 N5

InChI:

InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10H,1H3,(H,17,18,19,20)/p+2

InChIKey:

GNJXIZOPHGMAQW-UHFFFAOYSA-P

SMILES:

Software	SMILES
ACDLabs 11.02	n1c(cc([n+]2c1[nH+]cn2)Nc4cc3ccccc3cc4)C
OpenEye OEToolkits 1.7.0	Cc1cc([n+]2c(n1)[nH+]c[nH]2)Nc3ccc4ccccc4c3
CACTVS 3.352	Cc1cc(Nc2ccc3ccccc3c2)[n+]4[nH]c[nH+]c4n1

Name:

5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium

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).