BioLiP

PDB

BioLiP

PDB CCD ID:

UUY

Number of entries in BioLiP:

Chemical formula:

C8 H12 N2 O

InChI:

InChI=1S/C8H12N2O/c1-10(6-7-11)8-4-2-3-5-9-8/h2-5,11H,6-7H2,1H3

InChIKey:

MWGKOPUDDQZERY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n1ccccc1N(C)CCO
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN(CCO)c1ccccn1

Name:

2-[methyl(pyridin-2-yl)amino]ethan-1-ol

ZINC:

ZINC000000167422

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).