BioLiP

PDB

BioLiP

PDB CCD ID:

TSH

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2

InChI:

InChI=1S/C10H10N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,6-7,11-12H,5H2/b11-6-

InChIKey:

DCXUMIPCJIGNQW-WDZFZDKYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N=CCc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0	[H]N=CCc1c[nH]c2c1cccc2
ACDLabs 10.04	[N@H]=CCc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0	[H]/N=C\Cc1c[nH]c2c1cccc2

Name:

2-(1H-INDOL-3-YL)ETHANIMINE

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).