BioLiP

PDB

BioLiP

PDB CCD ID:

A1IH9

Number of entries in BioLiP:

Chemical formula:

C8 H12 N2 O

InChI:

InChI=1S/C8H12N2O/c1-10(2)6-7-8(11)4-3-5-9-7/h3-5,11H,6H2,1-2H3

InChIKey:

NUMYETXZBQVFDX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)Cc1c(cccn1)O
CACTVS 3.385	CN(C)Cc1ncccc1O

Name:

2-[(dimethylamino)methyl]pyridin-3-ol

ChEMBL:

CHEMBL4293722

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).