BioLiP

PDB

BioLiP

PDB CCD ID:

AEM

Number of entries in BioLiP:

Chemical formula:

C2 H6 N2

InChI:

InChI=1S/C2H6N2/c3-1-2-4/h1,3H,2,4H2/b3-1+

InChIKey:

AXQVKDQRBAXYBP-HNQUOIGGSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	[N@H]=CCN
OpenEye OEToolkits 1.5.0	[H]/N=C/CN
OpenEye OEToolkits 1.5.0	[H]N=CCN
CACTVS 3.341	NCC=N

Name:

2-AMINOETHANIMIDIC ACID

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).