BioLiP

PDB

BioLiP

PDB CCD ID:

W3S

Number of entries in BioLiP:

Chemical formula:

C6 H6 N4

InChI:

InChI=1S/C6H6N4/c7-6-9-8-5-3-1-2-4-10(5)6/h1-4H,(H2,7,9)

InChIKey:

NCZQAIFOXJOCFI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccn2c(c1)nnc2N
CACTVS 3.385	Nc1nnc2ccccn12
ACDLabs 12.01	n2c(n1ccccc1n2)N

Name:

[1,2,4]triazolo[4,3-a]pyridin-3-amine

ZINC:

ZINC000008616242

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).