SEQ2FUN

BioLiP

PDB CCD ID: CEU
Number of entries in BioLiP: 1
Chemical formula: C10 H18 N6
InChI: InChI=1S/C10H18N6/c1-12-8-7-9(14-10(11)13-8)16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKey: ZZGIYIUKTWQYCW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNc1cc(nc(N)n1)N2CCN(C)CC2
OpenEye OEToolkits 2.0.6CNc1cc(nc(n1)N)N2CCN(CC2)C
Name:N4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
ChEMBL: CHEMBL495112
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).