BioLiP

PDB

BioLiP

PDB CCD ID:

3HM

Number of entries in BioLiP:

Chemical formula:

C7 H7 N O3

InChI:

InChI=1S/C7H7NO3/c1-4-6(9)2-5(3-8-4)7(10)11/h2-3,9H,1H3,(H,10,11)

InChIKey:

NYEFWJFPBFRRKU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1c(cc(cn1)C(=O)O)O
CACTVS 3.341	Cc1ncc(cc1O)C(O)=O
ACDLabs 10.04	O=C(O)c1cnc(c(O)c1)C

Name:

5-hydroxy-6-methylpyridine-3-carboxylic acid;
2-methyl-3-hydroxypyridine-5-carboxylic acid

ZINC:

ZINC000000895555

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).