SEQ2FUN

BioLiP

PDB CCD ID: OOL
Number of entries in BioLiP: 1
Chemical formula: C7 H9 N3 O2
InChI: InChI=1S/C7H9N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3-4,8H,1-2H3/b8-4+
InChIKey: ZNXPLNWUFWZUFS-XBXARRHUSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N=Cc1nc(OC)cc(OC)n1
OpenEye OEToolkits 2.0.7COc1cc(nc(n1)C=N)OC
OpenEye OEToolkits 2.0.7[H]/N=C/c1nc(cc(n1)OC)OC
CACTVS 3.385COc1cc(OC)nc(C=N)n1
Name:(E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine
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).