BioLiP

PDB

BioLiP

PDB CCD ID:

A1AP5

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O2

InChI:

InChI=1S/C10H14N2O2/c1-4-14-9-8(6-5-7-11-9)10(13)12(2)3/h5-7H,4H2,1-3H3

InChIKey:

FXLCBVVYURBPIJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCOc1c(cccn1)C(=O)N(C)C
ACDLabs 12.01 CACTVS 3.385	CCOc1ncccc1C(=O)N(C)C

Name:

2-ethoxy-N,N-dimethylpyridine-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).