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BioLiP

PDB CCD ID: LWL
Number of entries in BioLiP: 4
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:
SoftwareSMILES
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, Peter L 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).
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