BioLiP

PDB

BioLiP

PDB CCD ID:

GXG

Number of entries in BioLiP:

Chemical formula:

C10 H6 F2 O4

InChI:

InChI=1S/C10H6F2O4/c11-5-2-1-3-6(12)9(5)7(13)4-8(14)10(15)16/h1-3H,4H2,(H,15,16)

InChIKey:

XDJANDPQWKAGNO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(c(c(c1)F)C(=O)CC(=O)C(=O)O)F
CACTVS 3.385	OC(=O)C(=O)CC(=O)c1c(F)cccc1F
ACDLabs 12.01	c1(cccc(c1C(CC(C(O)=O)=O)=O)F)F

Name:

4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid

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).