BioLiP

PDB

BioLiP

PDB CCD ID:

9KH

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O4

InChI:

InChI=1S/C8H9NO4/c1-4-5(2-8(12)13)9-7(11)3-6(4)10/h3H,2H2,1H3,(H,12,13)(H2,9,10,11)

InChIKey:

MGGXBHMHJPCYSF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1c(cc(nc1CC(=O)O)O)O
CACTVS 3.385	Cc1c(O)cc(O)nc1CC(O)=O

Name:

6-carboxy methyl-4-hydroxy-2-pyridinol

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).