BioLiP

PDB

BioLiP

PDB CCD ID:

5HO

Number of entries in BioLiP:

Chemical formula:

C11 H12 Cl N3 O2

InChI:

InChI=1S/C11H12ClN3O2/c12-8-3-4-9(13-7-8)14-10(16)11(17)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,13,14,16)

InChIKey:

LBTQVDWFWLGFOP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccc(NC(=O)C(=O)N2CCCC2)nc1
OpenEye OEToolkits 1.9.2	c1cc(ncc1Cl)NC(=O)C(=O)N2CCCC2
ACDLabs 12.01	c1(ccc(nc1)NC(C(N2CCCC2)=O)=O)Cl

Name:

N-(5-chloropyridin-2-yl)-2-oxo-2-(pyrrolidin-1-yl)acetamide

ZINC:

ZINC000009302927

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).