BioLiP

PDB

BioLiP

PDB CCD ID:

EY9

Number of entries in BioLiP:

Chemical formula:

C11 H13 N O2

InChI:

InChI=1S/C11H13NO2/c1-13-6-7-14-10-2-3-11-9(8-10)4-5-12-11/h2-5,8,12H,6-7H2,1H3

InChIKey:

FPLAYGBHGUOPLD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COCCOc1ccc2c(c1)cc[nH]2
CACTVS 3.385	COCCOc1ccc2[nH]ccc2c1

Name:

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

ZINC:

ZINC000038584157

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).