BioLiP

PDB

BioLiP

PDB CCD ID:

A1IWT

Number of entries in BioLiP:

Chemical formula:

C3 H7 N3 O

InChI:

InChI=1S/C3H7N3O/c4-2(5)1-3(6)7/h1H2,(H3,4,5)(H2,6,7)

InChIKey:

RGXJMLZFKIUGNH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	[H]/N=C(\CC(=O)N)/N
CACTVS 3.385	NC(=N)CC(N)=O
OpenEye OEToolkits 2.0.7	C(C(=N)N)C(=O)N

Name:

3-azanyl-3-azanylidene-propanamide

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).