BioLiP

PDB

BioLiP

PDB CCD ID:

U4B

Number of entries in BioLiP:

Chemical formula:

C7 H4 F N O4

InChI:

InChI=1S/C7H4FNO4/c8-4-3(6(10)11)1-2-9-5(4)7(12)13/h1-2H,(H,10,11)(H,12,13)

InChIKey:

IEQUQLPYQQVCNF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cnc(c(c1C(=O)O)F)C(=O)O
CACTVS 3.385	OC(=O)c1ccnc(C(O)=O)c1F

Name:

3-fluoranylpyridine-2,4-dicarboxylic 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).