BioLiP

PDB

BioLiP

PDB CCD ID:

A1CS5

Number of entries in BioLiP:

Chemical formula:

C9 H11 N3 O2

InChI:

InChI=1S/C9H11N3O2/c1-6(13)10-8-4-3-5-9(12-8)11-7(2)14/h3-5H,1-2H3,(H2,10,11,12,13,14)

InChIKey:

DVKNWDFYHWHRML-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)Nc1cccc(NC(C)=O)n1
ACDLabs 14.52	O=C(C)Nc1cccc(NC(C)=O)n1
OpenEye OEToolkits 3.1.0.0	CC(=O)Nc1cccc(n1)NC(=O)C

Name:

N,N'-(pyridine-2,6-diyl)diacetamide

ChEMBL:

CHEMBL1568338

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).