SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C8 H8 F3 N

InChI:

InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H,5,12H2

InChIKey:

PRDBLLIPPDOICK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1CN)C(F)(F)F
CACTVS 3.385	NCc1ccc(cc1)C(F)(F)F

Name:

[4-(trifluoromethyl)phenyl]methanamine;
4-(Trifluoromethyl)benzylamine;
p-trifluoromethylbenzylamine;
4-Aminomethylbenzotrifluoride

ChEMBL:

ZINC:

ZINC000004219153

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).