BioLiP

PDB

BioLiP

PDB CCD ID:

Z13

Number of entries in BioLiP:

Chemical formula:

C16 H11 F6 N

InChI:

InChI=1S/C16H11F6N/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22/h1-9H,10H2

InChIKey:

ZQHUZWLWETYCDW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	FC(F)(F)c1ccc(CN=Cc2ccc(cc2)C(F)(F)F)cc1
ACDLabs 12.01	FC(F)(F)c2ccc(/C=N/Cc1ccc(cc1)C(F)(F)F)cc2
OpenEye OEToolkits 1.7.6	c1cc(ccc1CN=Cc2ccc(cc2)C(F)(F)F)C(F)(F)F

Name:

(E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine

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).