BioLiP

PDB

BioLiP

PDB CCD ID:

2J5

Number of entries in BioLiP:

Chemical formula:

C13 H14 N2 O

InChI:

InChI=1S/C13H14N2O/c1-10-5-4-8-14-13(10)15-9-11-6-2-3-7-12(11)16/h2-8,16H,9H2,1H3,(H,14,15)

InChIKey:

OIQQRLRYXHZROE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.7.6	Cc1cccnc1NCc2ccccc2O
ACDLabs 12.01	Oc1c(cccc1)CNc2ncccc2C

Name:

2-{[(3-methylpyridin-2-yl)amino]methyl}phenol

ZINC:

ZINC000000394894

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).