BioLiP

PDB

BioLiP

PDB CCD ID:

JZ9

Number of entries in BioLiP:

Chemical formula:

C8 H11 N

InChI:

InChI=1S/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-6,9H,1-4H2

InChIKey:

KQBVVLOYXDVATK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1c[nH]c2c1CCCC2
CACTVS 3.352	C1CCc2cc[nH]c2C1

Name:

4,5,6,7-tetrahydro-1H-indole

ZINC:

ZINC000004521854

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).