BioLiP

PDB

BioLiP

PDB CCD ID:

WRY

Number of entries in BioLiP:

Chemical formula:

C12 H11 F N2 O

InChI:

InChI=1S/C12H11FN2O/c1-7-10(12(16)14-2)5-8-3-4-9(13)6-11(8)15-7/h3-6H,1-2H3,(H,14,16)

InChIKey:

XTBYDIXZNAOPDG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(cc2ccc(cc2n1)F)C(=O)NC
CACTVS 3.385	CNC(=O)c1cc2ccc(F)cc2nc1C
ACDLabs 12.01	N(C)C(=O)c2cc1ccc(F)cc1nc2C

Name:

7-fluoro-N,2-dimethylquinoline-3-carboxamide

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).