BioLiP

PDB

BioLiP

PDB CCD ID:

RJ5

Number of entries in BioLiP:

Chemical formula:

C12 H12 N2 O

InChI:

InChI=1S/C12H12N2O/c1-15-11-4-2-9(3-5-11)10-6-7-14-12(13)8-10/h2-8H,1H3,(H2,13,14)

InChIKey:

PGBMTNNEAWCSJZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)c2ccnc(c2)N
CACTVS 3.385	COc1ccc(cc1)c2ccnc(N)c2

Name:

4-(4-methoxyphenyl)pyridin-2-amine

ChEMBL:

CHEMBL5075137

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).