BioLiP

PDB

BioLiP

PDB CCD ID:

M3F

Number of entries in BioLiP:

Chemical formula:

C14 H9 F3 N2 O

InChI:

InChI=1S/C14H9F3N2O/c1-7-6-10(14(15,16)17)18-12-11(7)8-4-2-3-5-9(8)13(20)19-12/h2-6H,1H3,(H,18,19,20)

InChIKey:

DRKNNRNHSWAINH-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	FC(F)(F)c3nc1c(c2c(C(=O)N1)cccc2)c(c3)C
OpenEye OEToolkits 1.7.0	Cc1cc(nc2c1-c3ccccc3C(=O)N2)C(F)(F)F
CACTVS 3.370	Cc1cc(nc2NC(=O)c3ccccc3c12)C(F)(F)F

Name:

1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5H)-one

ZINC:

ZINC000012610356

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).