BioLiP

PDB

BioLiP

PDB CCD ID:

LVL

Number of entries in BioLiP:

Chemical formula:

C11 H7 F3 N2

InChI:

InChI=1S/C11H7F3N2/c12-11(13,14)8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3H2

InChIKey:

RLNKXFUKNFUIHO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1C(F)(F)F)c(c[nH]2)CC#N
CACTVS 3.385	FC(F)(F)c1ccc2[nH]cc(CC#N)c2c1

Name:

2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile

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).