BioLiP

PDB

BioLiP

PDB CCD ID:

OXJ

Number of entries in BioLiP:

Chemical formula:

C10 H9 F6 N

InChI:

InChI=1S/C10H9F6N/c1-17-5-6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4,17H,5H2,1H3

InChIKey:

ADTNSTHKMIPKIJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385 OpenEye OEToolkits 2.0.7	CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

Name:

1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine

ZINC:

ZINC000083418805

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).