BioLiP

PDB

BioLiP

PDB CCD ID:

A1CWI

Number of entries in BioLiP:

Chemical formula:

C12 H13 N3

InChI:

InChI=1S/C12H13N3/c1-10-4-6-14-12(7-10)15-9-11-3-2-5-13-8-11/h2-8H,9H2,1H3,(H,14,15)

InChIKey:

HSSNXQNQTXKAPY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cc1ccnc(c1)NCc2cccnc2
ACDLabs 14.52 CACTVS 3.385	Cc1ccnc(NCc2cccnc2)c1

Name:

4-methyl-N-[(pyridin-3-yl)methyl]pyridin-2-amine

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).