BioLiP

PDB

BioLiP

PDB CCD ID:

A1EHL

Number of entries in BioLiP:

Chemical formula:

C5 H3 F3 N2 O

InChI:

InChI=1S/C5H3F3N2O/c6-5(7,8)4-9-2-1-3(11)10-4/h1-2H,(H,9,10,11)

InChIKey:

PDCVDVCPQWFGAX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cnc(nc1O)C(F)(F)F
CACTVS 3.385	Oc1ccnc(n1)C(F)(F)F

Name:

2-(trifluoromethyl)pyrimidin-4-ol

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).