BioLiP

PDB

BioLiP

PDB CCD ID:

A1CRB

Number of entries in BioLiP:

Chemical formula:

C6 H5 F3 N2 O

InChI:

InChI=1S/C6H5F3N2O/c1-11-3-2-10-5(11)4(12)6(7,8)9/h2-3H,1H3

InChIKey:

HZBPTKJLNVNRBB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	Cn1ccnc1C(=O)C(F)(F)F
ACDLabs 14.52	O=C(c1nccn1C)C(F)(F)F

Name:

2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-one

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).