BioLiP

PDB

BioLiP

PDB CCD ID:

A1IPM

Number of entries in BioLiP:

Chemical formula:

C9 H14 N3 O

InChI:

InChI=1S/C9H13N3O/c1-6-4-8(11-2)12(3)5-7(6)9(10)13/h4-5H,1-3H3,(H2,10,13)/p+1

InChIKey:

MGBQINHGHQAWPO-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc([n+](cc1C(=O)N)C)NC
CACTVS 3.385	CNc1cc(C)c(c[n+]1C)C(N)=O

Name:

1,4-dimethyl-6-(methylamino)pyridine-3-carboxamide

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).