BioLiP

PDB

BioLiP

PDB CCD ID:

GFQ

Number of entries in BioLiP:

Chemical formula:

C19 H23 F3 N2 O S

InChI:

InChI=1S/C19H23F3N2OS/c1-13(2)4-3-5-17-24-16(12-26-17)14-6-8-15(9-7-14)18(25)23-11-10-19(20,21)22/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)

InChIKey:

KTLILWGHLTVHAZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(C)CCCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F
CACTVS 3.385	CC(C)CCCc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F

Name:

4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]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).