SEQ2FUN

BioLiP

PDB CCD ID: ZZ2
Number of entries in BioLiP: 1
Chemical formula: C8 H13 N3 O2
InChI: InChI=1S/C8H13N3O2/c1-6-5-7(11-8(9)10-6)13-4-3-12-2/h5H,3-4H2,1-2H3,(H2,9,10,11)
InChIKey: VCJHOFUOIQHNBC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O(c1nc(nc(c1)C)N)CCOC
OpenEye OEToolkits 1.6.1Cc1cc(nc(n1)N)OCCOC
CACTVS 3.352COCCOc1cc(C)nc(N)n1
Name:4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine;
4-(2-methoxy-ethoxy)-6-methyl-pyrimidine-2-ylamine
ChEMBL: CHEMBL538937
DrugBank: DB08786
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).