BioLiP

PDB

BioLiP

PDB CCD ID:

3TV

Number of entries in BioLiP:

Chemical formula:

C9 H9 F4 N O2 S2

InChI:

InChI=1S/C9H9F4NO2S2/c1-2-3-17-8-4(10)6(12)9(18(14,15)16)7(13)5(8)11/h2-3H2,1H3,(H2,14,15,16)

InChIKey:

LKPIFWBRFVJTMY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CCCSc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F
CACTVS 3.385	CCCSc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O
ACDLabs 12.01	O=S(=O)(c1c(F)c(F)c(SCCC)c(F)c1F)N

Name:

2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide

ChEMBL:

CHEMBL2333418

ZINC:

ZINC000095589548

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).