SEQ2FUN

BioLiP

PDB CCD ID: 95F
Number of entries in BioLiP: 2
Chemical formula: C11 H18 N4 O
InChI: InChI=1S/C11H18N4O/c1-3-9-8(2)13-11(12)14-10(9)15-4-6-16-7-5-15/h3-7H2,1-2H3,(H2,12,13,14)
InChIKey: VYZIWKYGVDQKSB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2(nc(N1CCOCC1)c(c(n2)C)CC)N
OpenEye OEToolkits 2.0.6CCc1c(nc(nc1N2CCOCC2)N)C
CACTVS 3.385CCc1c(C)nc(N)nc1N2CCOCC2
Name:5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine
ChEMBL: CHEMBL4938738
ZINC: ZINC000000449124
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).