BioLiP

PDB

BioLiP

PDB CCD ID:

A1H3Y

Number of entries in BioLiP:

Chemical formula:

C17 H17 N O2

InChI:

InChI=1S/C17H17NO2/c19-9-8-14-11-18-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,18-19H,8-9,12H2

InChIKey:

SQAUQUOZCKVQND-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)COc2ccc3c(c2)c(c[nH]3)CCO
CACTVS 3.385	OCCc1c[nH]c2ccc(OCc3ccccc3)cc12

Name:

2-(5-phenylmethoxy-1~{H}-indol-3-yl)ethanol

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).