BioLiP

PDB

BioLiP

PDB CCD ID:

QEF

Number of entries in BioLiP:

Chemical formula:

C10 H9 F N2

InChI:

InChI=1S/C10H9FN2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3,(H2,12,13)

InChIKey:

PTJKTKQKAHCGDF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cc(N)c2cc(F)ccc2n1
ACDLabs 12.01	Fc1ccc2nc(C)cc(N)c2c1
OpenEye OEToolkits 2.0.7	Cc1cc(c2cc(ccc2n1)F)N

Name:

6-fluoro-2-methylquinolin-4-amine

ZINC:

ZINC000008549018

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).