BioLiP

PDB

BioLiP

PDB CCD ID:

SVI

Number of entries in BioLiP:

Chemical formula:

C5 H4 N4

InChI:

InChI=1S/C5H4N4/c1-2-9-4-7-8-5(9)3-6-1/h1-4H

InChIKey:

NVSPJDGXKBDYIZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1cncc2nncn12
CACTVS 3.385 OpenEye OEToolkits 2.0.7	c1cn2cnnc2cn1

Name:

(4S)-[1,2,4]triazolo[4,3-a]pyrazine

ZINC:

ZINC000001695126

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).