SEQ2FUN

BioLiP

PDB CCD ID: D8Z
Number of entries in BioLiP: 1
Chemical formula: C16 H26 O5
InChI: InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1
InChIKey: SXYIRMFQILZOAM-HVNFFKDJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CO[CH]1O[CH]2O[C]3(C)CC[CH]4[CH](C)CC[CH]([CH]1C)[C]24OO3
OpenEye OEToolkits 2.0.6C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C
OpenEye OEToolkits 2.0.6CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC)C
CACTVS 3.385CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3
Name:Artemether
ChEMBL: CHEMBL566534
DrugBank: DB06697
ZINC: ZINC000014263142
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).