SEQ2FUN

BioLiP

PDB CCD ID: OA5
Number of entries in BioLiP: 2
Chemical formula: C11 H13 N5 O2
InChI: InChI=1S/C11H13N5O2/c12-9-14-10(13)16-11(15-9)18-7-6-17-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,12,13,14,15,16)
InChIKey: LRQXUZUFSOQMGU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1c1ccc(cc1)OCCOc2nc(nc(n2)N)N
CACTVS 3.352Nc1nc(N)nc(OCCOc2ccccc2)n1
ACDLabs 10.04O(c1nc(nc(n1)N)N)CCOc2ccccc2
Name:6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine
DrugBank: DB08318
ZINC: ZINC000053683076
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).