BioLiP

PDB

BioLiP

PDB CCD ID:

FDZ

Number of entries in BioLiP:

Chemical formula:

C10 H7 F3 N4 O2 S

InChI:

InChI=1S/C10H7F3N4O2S/c11-10(12,13)19-7-3-1-2-6(4-7)15-9(18)16-8-5-14-17-20-8/h1-5H,(H2,15,16,18)

InChIKey:

CKHACPXJTNTCBW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 OpenEye OEToolkits 2.0.4	c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2
CACTVS 3.385	FC(F)(F)Oc1cccc(NC(=O)Nc2snnc2)c1

Name:

1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea

ZINC:

ZINC000584905576

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).