BioLiP

PDB

BioLiP

PDB CCD ID:

A1EAV

Number of entries in BioLiP:

Chemical formula:

C14 H8 N2 O4

InChI:

InChI=1S/C14H8N2O4/c17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9/h1-6H,(H,17,18)(H,19,20)

InChIKey:

FXSVCROWUPWXBP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2ccc(nc2c3c1ccc(n3)C(=O)O)C(=O)O
CACTVS 3.385	OC(=O)c1ccc2ccc3ccc(nc3c2n1)C(O)=O

Name:

1,10-phenanthroline-2,9-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).