BioLiP

PDB

BioLiP

PDB CCD ID:

A1IWW

Number of entries in BioLiP:

Chemical formula:

C4 H10 N2 O

InChI:

InChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)

InChIKey:

JHRDEHLFNLLCQS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)C(N)=NO
OpenEye OEToolkits 2.0.7	CC(C)C(=NO)N
CACTVS 3.385	CC(C)/C(N)=N/O
OpenEye OEToolkits 2.0.7	CC(C)/C(=N/O)/N

Name:

2-methyl-~{N}'-oxidanyl-propanimidamide

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).