SEQ2FUN

BioLiP

PDB CCD ID: CGX
Number of entries in BioLiP: 1
Chemical formula: C14 H23 N5
InChI: InChI=1S/C14H23N5/c1-2-11-12(16-10-6-7-10)17-14(15)18-13(11)19-8-4-3-5-9-19/h10H,2-9H2,1H3,(H3,15,16,17,18)
InChIKey: NGFMYCHBESXCPP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCc1c(NC2CC2)nc(N)nc1N3CCCCC3
OpenEye OEToolkits 2.0.6CCc1c(nc(nc1N2CCCCC2)N)NC3CC3
Name:N4-cyclopropyl-5-ethyl-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).