BioLiP

PDB

BioLiP

PDB CCD ID:

Q6F

Number of entries in BioLiP:

Chemical formula:

C15 H14 Cl2 N2 O3 S

InChI:

InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19-13-6-3-10(4-7-13)15(20)18-9-11-2-5-12(16)8-14(11)17/h2-8,19H,9H2,1H3,(H,18,20)

InChIKey:

RDFIQTZRJRVFHK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[S](=O)(=O)Nc1ccc(cc1)C(=O)NCc2ccc(Cl)cc2Cl
ACDLabs 12.01	c1(ccc(cc1)NS(C)(=O)=O)C(NCc2c(cc(cc2)Cl)Cl)=O
OpenEye OEToolkits 2.0.6	CS(=O)(=O)Nc1ccc(cc1)C(=O)NCc2ccc(cc2Cl)Cl

Name:

N-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl)amino]benzamide

ZINC:

ZINC000001050726

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).