BioLiP

PDB

BioLiP

PDB CCD ID:

A1IEJ

Number of entries in BioLiP:

Chemical formula:

C15 H15 N3

InChI:

InChI=1S/C15H15N3/c16-8-7-13-12-5-1-2-6-14(12)18-15(13)11-4-3-9-17-10-11/h1-6,9-10,18H,7-8,16H2

InChIKey:

SZLBNNSKJUHQMT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(c([nH]2)c3cccnc3)CCN
CACTVS 3.385	NCCc1c([nH]c2ccccc12)c3cccnc3

Name:

2-(2-pyridin-3-yl-1~{H}-indol-3-yl)ethanamine

ChEMBL:

CHEMBL4998062

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).