BioLiP

PDB

BioLiP

PDB CCD ID:

O0P

Number of entries in BioLiP:

Chemical formula:

C8 H11 F N2 O2 S

InChI:

InChI=1S/C8H11FN2O2S/c1-11(14(10,12)13)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3,(H2,10,12,13)

InChIKey:

MTNUKOMLMCLFRR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CN(Cc1cccc(c1)F)S(=O)(=O)N
CACTVS 3.385	CN(Cc1cccc(F)c1)[S](N)(=O)=O
ACDLabs 12.01	NS(N(C)Cc1cc(ccc1)F)(=O)=O

Name:

N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide

ZINC:

ZINC000036924412

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).