BioLiP

PDB

BioLiP

PDB CCD ID:

MKI

Number of entries in BioLiP:

Chemical formula:

C15 H15 Cl N2 O

InChI:

InChI=1S/C15H15ClN2O/c1-11-6-7-17-10-14(11)18(2)15(19)9-12-4-3-5-13(16)8-12/h3-8,10H,9H2,1-2H3

InChIKey:

KTTFDHLIVPVQIE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cc1ccncc1N(C)C(=O)Cc1cccc(Cl)c1
OpenEye OEToolkits 2.0.7	Cc1ccncc1N(C)C(=O)Cc2cccc(c2)Cl
CACTVS 3.385	CN(C(=O)Cc1cccc(Cl)c1)c2cnccc2C

Name:

2-(3-chlorophenyl)-N-methyl-N-(4-methylpyridin-3-yl)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).