BioLiP

PDB

BioLiP

PDB CCD ID:

HRF

Number of entries in BioLiP:

Chemical formula:

C14 H12 N2 O4

InChI:

InChI=1S/C14H12N2O4/c17-13(18)10-6-11(14(19)20)16-8-12(10)15-7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H,17,18)(H,19,20)

InChIKey:

FQCUGQSKLCNUQT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O
CACTVS 3.385	OC(=O)c1cc(C(O)=O)c(NCc2ccccc2)cn1

Name:

5-(benzylamino)pyridine-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).