SEQ2FUN

BioLiP

PDB CCD ID: IW9
Number of entries in BioLiP: 4
Chemical formula: C10 H17 N3 O2
InChI: InChI=1S/C10H17N3O2/c1-3-5-6-15-8-7-12-10(11)13-9(8)14-4-2/h7H,3-6H2,1-2H3,(H2,11,12,13)
InChIKey: ORONXSSMYKMNFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCOc1cnc(N)nc1OCC
OpenEye OEToolkits 2.0.7CCCCOc1cnc(nc1OCC)N
ACDLabs 12.01Nc1nc(OCC)c(cn1)OCCCC
Name:5-butoxy-4-ethoxypyrimidin-2-amine
ZINC: ZINC000039099833
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).