BioLiP

PDB

BioLiP

PDB CCD ID:

A1IR1

Number of entries in BioLiP:

Chemical formula:

C15 H11 N7 O

InChI:

InChI=1S/C15H11N7O/c16-15-20-13(19-14(21-15)11-4-2-8-23-11)10-3-1-5-12(18-10)22-7-6-17-9-22/h1-9H,(H2,16,19,20,21)

InChIKey:

PZPYYFUYDDSXJF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1nc(nc(n1)c2cccc(n2)n3ccnc3)c4occc4
OpenEye OEToolkits 2.0.7	c1cc(nc(c1)n2ccnc2)c3nc(nc(n3)N)c4ccco4

Name:

4-(furan-2-yl)-6-(6-imidazol-1-ylpyridin-2-yl)-1,3,5-triazin-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).