BioLiP

PDB

BioLiP

PDB CCD ID:

A1IVS

Number of entries in BioLiP:

Chemical formula:

C8 H5 F2 N

InChI:

InChI=1S/C8H5F2N/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H

InChIKey:

WZPOGQRJXZGSMH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c[nH]c2c1cc(cc2F)F
CACTVS 3.385	Fc1cc(F)c2[nH]ccc2c1

Name:

5,7-bis(fluoranyl)-1~{H}-indole

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).