SEQ2FUN

BioLiP

PDB CCD ID: 6RU
Number of entries in BioLiP: 1
Chemical formula: C17 H20 N6
InChI: InChI=1S/C17H20N6/c1-21(2)16-18-15(19-17(20-16)22(3)4)14-11-8-12-23(14)13-9-6-5-7-10-13/h5-12H,1-4H3
InChIKey: YGYIXUFMSVWSAM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5CN(C)c1nc(nc(n1)N(C)C)c2cccn2c3ccccc3
CACTVS 3.385CN(C)c1nc(nc(n1)c2cccn2c3ccccc3)N(C)C
Name:~{N}2,~{N}2,~{N}4,~{N}4-tetramethyl-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine-2,4-diamine
ChEMBL: CHEMBL4569857
ZINC: ZINC000584905253
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).