BioLiP

PDB

BioLiP

PDB CCD ID:

S7J

Number of entries in BioLiP:

Chemical formula:

C6 H4 F3 N3 O

InChI:

InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-12-5)4(10)13/h1-2H,(H2,10,13)

InChIKey:

OKRNBFHZDGTDRX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1c(cnc(n1)C(F)(F)F)C(=O)N
CACTVS 3.385	NC(=O)c1cnc(nc1)C(F)(F)F

Name:

2-(trifluoromethyl)pyrimidine-5-carboxamide

ZINC:

ZINC000075847370

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).