BioLiP

PDB

BioLiP

PDB CCD ID:

Q3O

Number of entries in BioLiP:

Chemical formula:

C6 H5 N O4

InChI:

InChI=1S/C6H5NO4/c8-3-1-2-7-4(5(3)9)6(10)11/h1-2,9H,(H,7,8)(H,10,11)

InChIKey:

NLNJLZRQHDZFBV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OC1=C(NC=CC1=O)C(=O)O
CACTVS 3.385	OC(=O)C1=C(O)C(=O)C=CN1
OpenEye OEToolkits 2.0.7	C1=CNC(=C(C1=O)O)C(=O)O

Name:

3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid

ChEMBL:

CHEMBL5282387

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).