BioLiP

PDB

BioLiP

PDB CCD ID:

EGD

Number of entries in BioLiP:

Chemical formula:

C3 H9 N3

InChI:

InChI=1S/C3H9N3/c1-2-6-3(4)5/h2H2,1H3,(H4,4,5,6)

InChIKey:

KEWLVUBYGUZFKX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	[H]N=C(N)NCC
CACTVS 3.341	CCNC(N)=N
ACDLabs 10.04	[N@H]=C(N)NCC
OpenEye OEToolkits 1.5.0	[H]/N=C(\N)/NCC

Name:

N-ETHYLGUANIDINE

ZINC:

ZINC000002016764

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).