BioLiP

PDB

BioLiP

PDB CCD ID:

EY6

Number of entries in BioLiP:

Chemical formula:

C10 H10 F N O

InChI:

InChI=1S/C10H10FNO/c11-4-6-13-9-1-2-10-8(7-9)3-5-12-10/h1-3,5,7,12H,4,6H2

InChIKey:

VRTAUTLAOMSHHQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc[nH]2)cc1OCCF
CACTVS 3.385	FCCOc1ccc2[nH]ccc2c1

Name:

5-(2-fluoranylethoxy)-1H-indole

ZINC:

ZINC000075772208

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).