BioLiP

PDB

BioLiP

PDB CCD ID:

XGJ

Number of entries in BioLiP:

Chemical formula:

C2 H8 N4

InChI:

InChI=1S/C2H8N4/c3-2-4-1-5-6-2/h2,4-6H,1,3H2/t2-/m1/s1

InChIKey:

OKGXDOJTXCDXPH-UWTATZPHSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	NC1NNCN1
CACTVS 3.385	N[CH]1NCNN1
OpenEye OEToolkits 2.0.7	C1N[C@H](NN1)N
OpenEye OEToolkits 2.0.7	C1NC(NN1)N
CACTVS 3.385	N[C@H]1NCNN1

Name:

(3S)-1,2,4-triazolidin-3-amine

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).