BioLiP

PDB

BioLiP

PDB CCD ID:

H4G

Number of entries in BioLiP:

Chemical formula:

C13 H10 F2 N2 O

InChI:

InChI=1S/C13H10F2N2O/c14-10-4-3-9(12(15)7-10)6-13(18)17-11-2-1-5-16-8-11/h1-5,7-8H,6H2,(H,17,18)

InChIKey:

RWAUIOABZSEIGJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(cnc1)NC(=O)Cc2ccc(cc2F)F
CACTVS 3.385	Fc1ccc(CC(=O)Nc2cccnc2)c(F)c1
ACDLabs 12.01	N(C(Cc1ccc(F)cc1F)=O)c2cccnc2

Name:

2-(2,4-difluorophenyl)-N-(pyridin-3-yl)acetamide

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).