BioLiP

PDB

BioLiP

PDB CCD ID:

A1I3C

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O

InChI:

InChI=1S/C8H10N2O/c1-7(11)10(2)8-5-3-4-6-9-8/h3-6H,1-2H3

InChIKey:

BZZNKJYSPFIPGX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)N(C)c1ccccn1
CACTVS 3.385	CN(C(C)=O)c1ccccn1

Name:

~{N}-methyl-~{N}-pyridin-2-yl-ethanamide

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).