BioLiP

PDB

BioLiP

PDB CCD ID:

0IF

Number of entries in BioLiP:

Chemical formula:

C7 H5 F N2

InChI:

InChI=1S/C7H5FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2

InChIKey:

IQUNZGOZUJITBJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N#Cc1c(F)cccc1N
CACTVS 3.385	Nc1cccc(F)c1C#N
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1)F)C#N)N

Name:

2-amino-6-fluorobenzonitrile

ZINC:

ZINC000000153053

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).