BioLiP

PDB

BioLiP

PDB CCD ID:

A1IGJ

Number of entries in BioLiP:

Chemical formula:

C6 H9 N3

InChI:

InChI=1S/C6H9N3/c1-2-4-9-5-7-8-6(9)3-1/h5H,1-4H2

InChIKey:

MKOIWLVTFRQTJW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1nnc2n1CCCC2
CACTVS 3.385	C1CCc2nncn2C1

Name:

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

ChEMBL:

CHEMBL1688206

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).