BioLiP

PDB

BioLiP

PDB CCD ID:

A1H9T

Number of entries in BioLiP:

Chemical formula:

C9 H6 F N3 O S

InChI:

InChI=1S/C9H6FN3OS/c10-7-4-2-1-3-6(7)8(14)12-9-13-11-5-15-9/h1-5H,(H,12,13,14)

InChIKey:

PVIJYXUXYUQGKX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)C(=O)Nc2nncs2)F
CACTVS 3.385	Fc1ccccc1C(=O)Nc2scnn2

Name:

2-fluoranyl-~{N}-(1,3,4-thiadiazol-2-yl)benzamide;
2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide

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).