SEQ2FUN

BioLiP

PDB CCD ID: CJU
Number of entries in BioLiP: 1
Chemical formula: C10 H17 N5
InChI: InChI=1S/C10H17N5/c1-12-8-7-9(14-10(11)13-8)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H3,11,12,13,14)
InChIKey: WOSMHMANFDUDQJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNc1cc(nc(N)n1)N2CCCCC2
OpenEye OEToolkits 2.0.6CNc1cc(nc(n1)N)N2CCCCC2
Name:N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
ChEMBL: CHEMBL4565830
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).