BioLiP

PDB

BioLiP

PDB CCD ID:

T8V

Number of entries in BioLiP:

Chemical formula:

C7 H7 Cl N2 O

InChI:

InChI=1S/C7H7ClN2O/c1-5(11)10-6-3-2-4-9-7(6)8/h2-4H,1H3,(H,10,11)

InChIKey:

KWZIDENWDCKKPW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n1cccc(c1Cl)NC(C)=O
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=O)Nc1cccnc1Cl

Name:

N-(2-chloropyridin-3-yl)acetamide

ZINC:

ZINC000003130108

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).