BioLiP

PDB

BioLiP

PDB CCD ID:

DMZ

Number of entries in BioLiP:

Chemical formula:

C17 H17 N3 O2 S

InChI:

InChI=1S/C17H17N3O2S/c1-14-8-10-16(11-9-14)23(21,22)19(2)17-12-13-18-20(17)15-6-4-3-5-7-15/h3-13H,1-2H3

InChIKey:

KRHPBWNETCEFGS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1ccc(cc1)S(=O)(=O)[N@](C)c2ccnn2c3ccccc3
OpenEye OEToolkits 1.5.0	Cc1ccc(cc1)S(=O)(=O)N(C)c2ccnn2c3ccccc3
CACTVS 3.341	CN(c1ccnn1c2ccccc2)[S](=O)(=O)c3ccc(C)cc3
ACDLabs 10.04	O=S(=O)(c1ccc(cc1)C)N(c3ccnn3c2ccccc2)C

Name:

4-METHYL-N-METHYL-N-(2-PHENYL-2H-PYRAZOL-3-YL)BENZENESULFONAMIDE;
DIMETHYLSULFAPHENAZOLE

ChEMBL:

CHEMBL332958

DrugBank:

DB07670

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).