SEQ2FUN

BioLiP

PDB CCD ID: CJF
Number of entries in BioLiP: 2
Chemical formula: C11 H17 N5 O
InChI: InChI=1S/C11H17N5O/c12-11-14-9(13-8-1-2-8)7-10(15-11)16-3-5-17-6-4-16/h7-8H,1-6H2,(H3,12,13,14,15)
InChIKey: ODSBHVJNQBVQRW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1c(nc(nc1N2CCOCC2)N)NC3CC3
CACTVS 3.385Nc1nc(NC2CC2)cc(n1)N3CCOCC3
Name:N4-cyclopropyl-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).