BioLiP

PDB

BioLiP

PDB CCD ID:

N5L

Number of entries in BioLiP:

Chemical formula:

C14 H14 Cl N3 O

InChI:

InChI=1S/C14H14ClN3O/c1-9-12(16)7-17-8-13(9)18-14(19)6-10-3-2-4-11(15)5-10/h2-5,7-8H,6,16H2,1H3,(H,18,19)

InChIKey:

YFDTZFVQPPSTPK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1c(N)cncc1NC(=O)Cc2cccc(Cl)c2
OpenEye OEToolkits 2.0.7	Cc1c(cncc1NC(=O)Cc2cccc(c2)Cl)N
ACDLabs 12.01	O=C(Nc1cncc(N)c1C)Cc1cccc(Cl)c1

Name:

N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide

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).