BioLiP

PDB

BioLiP

PDB CCD ID:

F9Y

Number of entries in BioLiP:

Chemical formula:

C9 H6 N2

InChI:

InChI=1S/C9H6N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H

InChIKey:

SZSZDBFJCQKTRG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N#Cc1ccc2cc[nH]c2c1
OpenEye OEToolkits 2.0.6	c1cc(cc2c1cc[nH]2)C#N
ACDLabs 12.01	C(c2ccc1ccnc1c2)#N

Name:

1H-indole-6-carbonitrile

ZINC:

ZINC000002566051

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).