SEQ2FUN

BioLiP

PDB CCD ID: C9L
Number of entries in BioLiP: 2
Chemical formula: C12 H21 N5
InChI: InChI=1S/C12H21N5/c1-3-9-10(14-2)15-12(13)16-11(9)17-7-5-4-6-8-17/h3-8H2,1-2H3,(H3,13,14,15,16)
InChIKey: IHEKCGZMPNDSRL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCc1c(nc(nc1N2CCCCC2)N)NC
CACTVS 3.385CCc1c(NC)nc(N)nc1N2CCCCC2
Name:5-ethyl-N4-methyl-6-piperidin-1-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).