BioLiP

PDB

BioLiP

PDB CCD ID:

LWL

Number of entries in BioLiP:

Chemical formula:

C11 H17 N4 O

InChI:

InChI=1S/C11H16N4O/c1-15(2,3)9-11(16)14-13-8-10-6-4-5-7-12-10/h4-8H,9H2,1-3H3/p+1

InChIKey:

DQSNXLQZLFKDAM-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	C[N+](C)(C)CC(=O)NN=Cc1ccccn1
CACTVS 3.385 OpenEye OEToolkits 2.0.7	C[N+](C)(C)CC(=O)N/N=C/c1ccccn1

Name:

N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium;
~{N}-[(~{E})-pyridin-2-ylmethylideneamino]-2-(trimethyl-$l^{4}-azanyl)ethanamide

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).