BioLiP

PDB

BioLiP

PDB CCD ID:

D1X

Number of entries in BioLiP:

Chemical formula:

C6 H5 N O4

InChI:

InChI=1S/C6H5NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h1H,2H2,(H,10,11)(H,7,8,9)

InChIKey:

RELAYXOQOWYDAT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C1C(=CC(=O)NC1=O)C(=O)O
CACTVS 3.370	OC(=O)C1=CC(=O)NC(=O)C1
ACDLabs 12.01	O=C1NC(=O)C=C(C(=O)O)C1

Name:

2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid

ZINC:

ZINC000038787894

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).