BioLiP

PDB

BioLiP

PDB CCD ID:

JAH

Number of entries in BioLiP:

Chemical formula:

C12 H12 N2

InChI:

InChI=1S/C12H12N2/c13-8-10-6-7-12(14-9-10)11-4-2-1-3-5-11/h1-7,9H,8,13H2

InChIKey:

YXWLMYSYKQXBQE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ccc(cn2)CN
CACTVS 3.385	NCc1ccc(nc1)c2ccccc2

Name:

(6-phenylpyridin-3-yl)methanamine

ZINC:

ZINC000012370167

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).