BioLiP

PDB

BioLiP

PDB CCD ID:

WQ1

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O

InChI:

InChI=1S/C7H9NO/c1-6-2-3-8-4-7(6)5-9/h2-4,9H,5H2,1H3

InChIKey:

YZWSTKQAGIQVJK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	Cc1ccncc1CO
ACDLabs 12.01	n1cc(CO)c(cc1)C

Name:

(4-methylpyridin-3-yl)methanol

ZINC:

ZINC000001656171

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).