BioLiP

PDB

BioLiP

PDB CCD ID:

SZY

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O

InChI:

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

InChIKey:

WRPYDRDMRXJIJA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)Nc1cnccc1C
ACDLabs 12.01	c1(ccncc1NC(C)=O)C
OpenEye OEToolkits 2.0.7	Cc1ccncc1NC(=O)C

Name:

N-(4-methylpyridin-3-yl)acetamide

ZINC:

ZINC000022200301

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).