BioLiP

PDB

BioLiP

PDB CCD ID:

A1C9Q

Number of entries in BioLiP:

Chemical formula:

C11 H17 N3 O

InChI:

InChI=1S/C11H17N3O/c1-8(2)13-10-9(6-5-7-12-10)11(15)14(3)4/h5-8H,1-4H3,(H,12,13)

InChIKey:

FZDSOHOHCVRJNU-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52 CACTVS 3.385	CC(C)Nc1ncccc1C(=O)N(C)C
OpenEye OEToolkits 3.1.0.0	CC(C)Nc1c(cccn1)C(=O)N(C)C

Name:

N,N-dimethyl-2-[(propan-2-yl)amino]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).