BioLiP

PDB

BioLiP

PDB CCD ID:

2FT

Number of entries in BioLiP:

Chemical formula:

C5 H6 F2 O4

InChI:

InChI=1S/C5H6F2O4/c6-5(7,4(10)11)2-1-3(8)9/h1-2H2,(H,8,9)(H,10,11)

InChIKey:

PIVAHSCRTJPWJU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	OC(=O)CCC(F)(F)C(O)=O
OpenEye OEToolkits 1.7.0	C(CC(C(=O)O)(F)F)C(=O)O

Name:

2,2-difluoropentanedioic acid

ZINC:

ZINC000017550753

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).