BioLiP

PDB

BioLiP

PDB CCD ID:

A1AYG

Number of entries in BioLiP:

Chemical formula:

C13 H14 N2 O

InChI:

InChI=1S/C13H14N2O/c1-9-4-3-5-12(10(9)2)16-13-7-6-11(14)8-15-13/h3-8H,14H2,1-2H3

InChIKey:

XINLHLGITRDWJY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cccc(c1C)Oc2ccc(cn2)N
ACDLabs 12.01 CACTVS 3.385	Cc1cccc(Oc2ccc(N)cn2)c1C

Name:

6-(2,3-dimethylphenoxy)pyridin-3-amine

ChEMBL:

CHEMBL5220217

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).