BioLiP

PDB

BioLiP

PDB CCD ID:

ZV2

Number of entries in BioLiP:

Chemical formula:

C11 H11 F N3 O S

InChI:

InChI=1S/C11H11FN3OS/c12-8-1-3-9(4-2-8)14-10(16)7-15-5-6-17-11(15)13/h1-6H,7,13H2,(H,14,16)

InChIKey:

DBANAUMFACXVKZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1scc[n]1CC(=O)Nc2ccc(F)cc2
OpenEye OEToolkits 2.0.7	c1cc(ccc1NC(=O)C[N]2=C(SC=C2)N)F

Name:

2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide

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).