BioLiP

PDB

BioLiP

PDB CCD ID:

M45

Number of entries in BioLiP:

Chemical formula:

C6 H11 N5

InChI:

InChI=1S/C6H11N5/c1-2-5(7-3-1)10-6-8-4-9-11-6/h4-5,7H,1-3H2,(H2,8,9,10,11)/t5-/m0/s1

InChIKey:

WNMXGGSUOUEZIK-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1nc([nH]n1)N[C@H]2CCCN2
CACTVS 3.385	C1CN[CH](C1)Nc2[nH]ncn2
CACTVS 3.385	C1CN[C@H](C1)Nc2[nH]ncn2
OpenEye OEToolkits 2.0.7	c1nc([nH]n1)NC2CCCN2

Name:

~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-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).