BioLiP

PDB

BioLiP

PDB CCD ID:

7KN

Number of entries in BioLiP:

Chemical formula:

C18 H23 N8 O

InChI:

InChI=1S/C18H23N8O/c19-11-16-22-17(25-7-9-27-10-8-25)24-18(23-16)26(15-3-1-2-4-15)13-14-12-20-5-6-21-14/h5-6,11-12,15H,1-4,7-10,13H2/q-1

InChIKey:

STLUWEWHBPWICK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cnc(cn1)CN(c2nc(nc(n2)N3CCOCC3)C=[N-])C4CCCC4
CACTVS 3.385	[N-]=Cc1nc(nc(n1)N(Cc2cnccn2)C3CCCC3)N4CCOCC4

Name:

[4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide

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).