BioLiP

PDB

BioLiP

PDB CCD ID:

WRZ

Number of entries in BioLiP:

Chemical formula:

C17 H16 Cl2 N2 O2

InChI:

InChI=1S/C17H16Cl2N2O2/c1-2-16(22)21-14-7-4-11(5-8-14)17(23)20-10-12-3-6-13(18)9-15(12)19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22)

InChIKey:

AZICPPMUYWAQMD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCC(=O)Nc1ccc(cc1)C(=O)NCc2ccc(cc2Cl)Cl
ACDLabs 12.01	Clc1cc(Cl)ccc1CNC(=O)c1ccc(NC(=O)CC)cc1
CACTVS 3.385	CCC(=O)Nc1ccc(cc1)C(=O)NCc2ccc(Cl)cc2Cl

Name:

N-[(2,4-dichlorophenyl)methyl]-4-propanamidobenzamide

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).