BioLiP

PDB

BioLiP

PDB CCD ID:

8WO

Number of entries in BioLiP:

Chemical formula:

C8 H12 N2 O2

InChI:

InChI=1S/C8H12N2O2/c1-10-5-6(8(9)11)3-4-7(10)12-2/h3-4H,5H2,1-2H3,(H2,9,11)

InChIKey:

XDTUJYQFSMEIJT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COC1=CC=C(CN1C)C(N)=O
OpenEye OEToolkits 2.0.6	CN1CC(=CC=C1OC)C(=O)N

Name:

6-methoxy-1-methyl-2H-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).