BioLiP

PDB

BioLiP

PDB CCD ID:

FN7

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O2

InChI:

InChI=1S/C9H11NO2/c1-5-4-6(2)10-7(3)8(5)9(11)12/h4H,1-3H3,(H,11,12)

InChIKey:

YUGIEZXMHZFOFD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(nc(c1C(=O)O)C)C
CACTVS 3.385	Cc1cc(C)c(C(O)=O)c(C)n1
ACDLabs 12.01	OC(=O)c1c(C)cc(C)nc1C

Name:

2,4,6-trimethylpyridine-3-carboxylic acid

ZINC:

ZINC000024717888

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).