BioLiP

PDB

BioLiP

PDB CCD ID:

TJA

Number of entries in BioLiP:

Chemical formula:

C6 H10 N4

InChI:

InChI=1S/C6H10N4/c1-5-8-9-6-4-7-2-3-10(5)6/h7H,2-4H2,1H3

InChIKey:

WRGHYZWPWNOJEF-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	Cc1nnc2CNCCn12
OpenEye OEToolkits 2.0.7	Cc1nnc2n1CCNC2

Name:

(4S)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

ZINC:

ZINC000020442442

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).