BioLiP

PDB

BioLiP

PDB CCD ID:

A1EFO

Number of entries in BioLiP:

Chemical formula:

C7 H7 N O2

InChI:

InChI=1S/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10)

InChIKey:

LTUUGSGSUZRPRV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cccc(n1)C(O)=O
OpenEye OEToolkits 2.0.7	Cc1cccc(n1)C(=O)O

Name:

6-methylpyridine-2-carboxylic acid

ChEMBL:

CHEMBL1650458

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).