BioLiP

PDB

BioLiP

PDB CCD ID:

YNF

Number of entries in BioLiP:

Chemical formula:

C17 H25 Cl N2 O3 S2

InChI:

InChI=1S/C17H25ClN2O3S2/c1-2-3-9-20-17(21)13-10-16(25(19,22)23)14(18)11-15(13)24-12-7-5-4-6-8-12/h10-12H,2-9H2,1H3,(H,20,21)(H2,19,22,23)

InChIKey:

WZHPNNQXMINMAU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCNC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N
CACTVS 3.385	CCCCNC(=O)c1cc(c(Cl)cc1SC2CCCCC2)[S](N)(=O)=O

Name:

~{N}-butyl-4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzamide

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).