BioLiP

PDB

BioLiP

PDB CCD ID:

4CJ

Number of entries in BioLiP:

Chemical formula:

C17 H14 F N3 O S

InChI:

InChI=1S/C17H14FN3OS/c1-11(22)19-14-7-5-12(6-8-14)16-10-23-17(21-16)20-15-4-2-3-13(18)9-15/h2-10H,1H3,(H,19,22)(H,20,21)

InChIKey:

VXWLHCYIUSTNKY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc(c3)F
CACTVS 3.385	CC(=O)Nc1ccc(cc1)c2csc(Nc3cccc(F)c3)n2
ACDLabs 12.01	CC(=O)Nc1ccc(cc1)c1csc(Nc2cc(F)ccc2)n1

Name:

N-{4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide

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).