BioLiP

PDB

BioLiP

PDB CCD ID:

IFP

Number of entries in BioLiP:

Chemical formula:

C6 H4 F3 N3

InChI:

InChI=1S/C6H4F3N3/c1-3-2-11-5(6(7,8)9)12-4(3)10/h2,10H,1H2

InChIKey:

YKFRUALXTUDSBW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	FC(F)(F)C1=NC(=N)C(=C)C=N1
ACDLabs 10.04	FC(F)(F)C=1N=CC(=C)/C(=[N@H])N=1
OpenEye OEToolkits 1.5.0	C=C1C=NC(=NC1=N)C(F)(F)F

Name:

2-TRIFLUOROMETHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE;
4-IMINO-5-METHIDYL-2-TRIFLUOROMETHYLPYRIMIDINE

DrugBank:

DB02885

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).