SEQ2FUN

BioLiP

PDB CCD ID: CJ0
Number of entries in BioLiP: 2
Chemical formula: C9 H15 N5 O
InChI: InChI=1S/C9H15N5O/c1-11-7-6-8(13-9(10)12-7)14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H3,10,11,12,13)
InChIKey: AXNKRMOVKAQSAE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CNc1cc(nc(n1)N)N2CCOCC2
CACTVS 3.385CNc1cc(nc(N)n1)N2CCOCC2
Name:N4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
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).