BioLiP

PDB

BioLiP

PDB CCD ID:

K8J

Number of entries in BioLiP:

Chemical formula:

C8 H5 F O4

InChI:

InChI=1S/C8H5FO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)

InChIKey:

OMCXTFVBNCFZMY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccc(F)cc1C(O)=O
OpenEye OEToolkits 2.0.6	c1cc(c(cc1F)C(=O)O)C(=O)O
ACDLabs 12.01	c1(cc(ccc1C(O)=O)F)C(O)=O

Name:

4-fluorobenzene-1,2-dicarboxylic acid

ZINC:

ZINC000001571174

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).