BioLiP

PDB

BioLiP

PDB CCD ID:

E7Z

Number of entries in BioLiP:

Chemical formula:

C7 H7 N O4

InChI:

InChI=1S/C7H7NO4/c1-8-3-6(10)5(9)2-4(8)7(11)12/h2-3,10H,1H3,(H,11,12)

InChIKey:

XWHROGRDGWNCHV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1C=C(O)C(=O)C=C1C(O)=O
OpenEye OEToolkits 2.0.6	CN1C=C(C(=O)C=C1C(=O)O)O

Name:

1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid

ChEMBL:

CHEMBL177366

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).