BioLiP

PDB

BioLiP

PDB CCD ID:

FF3

Number of entries in BioLiP:

Chemical formula:

C3 H4 F2 N4 O2 S2

InChI:

InChI=1S/C3H4F2N4O2S2/c4-3(5,13(7,10)11)1-8-9-2(6)12-1/h(H2,6,9)(H2,7,10,11)

InChIKey:

XGFIHSGMBUMCQS-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=S(=O)(N)C(F)(F)c1nnc(s1)N
CACTVS 3.341	Nc1sc(nn1)C(F)(F)[S](N)(=O)=O
OpenEye OEToolkits 1.5.0	c1(nnc(s1)N)C(F)(F)S(=O)(=O)N

Name:

1-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1,1-DIFLUOROMETHANESULFONAMIDE

ChEMBL:

CHEMBL258256

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).