BioLiP

PDB

BioLiP

PDB CCD ID:

7L9

Number of entries in BioLiP:

Chemical formula:

C14 H9 N O6

InChI:

InChI=1S/C14H9NO6/c16-12(17)8-3-1-2-7(4-8)9-5-11(14(20)21)15-6-10(9)13(18)19/h1-6H,(H,16,17)(H,18,19)(H,20,21)

InChIKey:

NBVHLJGGHJLTGM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1cccc(c1)c2cc(ncc2C(O)=O)C(O)=O
ACDLabs 12.01	O=C(O)c1cccc(c1)c2c(cnc(c2)C(O)=O)C(=O)O
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)C(=O)O)c2cc(ncc2C(=O)O)C(=O)O

Name:

4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid

ChEMBL:

CHEMBL5179455

ZINC:

ZINC000004044291

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).