BioLiP

PDB

BioLiP

PDB CCD ID:

9IZ

Number of entries in BioLiP:

Chemical formula:

C23 H21 N5

InChI:

InChI=1S/C23H21N5/c1-4-13-24-19(8-1)16-28(17-20-9-2-5-14-25-20)18-21-10-7-12-23(27-21)22-11-3-6-15-26-22/h1-15H,16-18H2

InChIKey:

IAYCCYKQDTVUPA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C(N(Cc1ccccn1)Cc2cccc(n2)c3ccccn3)c4ccccn4
OpenEye OEToolkits 2.0.7	c1ccnc(c1)CN(Cc2ccccn2)Cc3cccc(n3)c4ccccn4

Name:

1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine

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).