BioLiP

PDB

BioLiP

PDB CCD ID:

PW7

Number of entries in BioLiP:

Chemical formula:

C5 H4 F3 N3

InChI:

InChI=1S/C5H4F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h1-2H,(H2,9,10,11)

InChIKey:

NKOTXYPTXKUCDL-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Nc1nc(ccn1)C(F)(F)F
OpenEye OEToolkits 2.0.6	c1cnc(nc1C(F)(F)F)N
CACTVS 3.385	Nc1nccc(n1)C(F)(F)F

Name:

4-(trifluoromethyl)pyrimidin-2-amine

ZINC:

ZINC000001023366

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).