BioLiP

PDB

BioLiP

PDB CCD ID:

LJM

Number of entries in BioLiP:

Chemical formula:

C13 H13 F N2 O S

InChI:

InChI=1S/C13H13FN2OS/c1-2-11-8-16-13(18-11)12(17)15-7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17)

InChIKey:

RQZLQKRNRVOGMG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCc1cnc(s1)C(=O)NCc2ccc(cc2)F
ACDLabs 12.01	n2c(C(NCc1ccc(F)cc1)=O)sc(c2)CC
CACTVS 3.385	CCc1sc(nc1)C(=O)NCc2ccc(F)cc2

Name:

5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide

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).